getgetapplication/xml20TrueNo default provided.Many related resources. Can be either a list of URIs or list of individually nested resource data.True/chembl/api/data/atc_class/schemato_manyNo default provided.First level of classificationTruestringlevel1No default provided.Description of first level of classificationTruestringlevel1 descriptionNo default provided.Second level of classificationTruestringlevel2No default provided.Description of second level of classificationTruestringlevel2 descriptionNo default provided.Third level of classificationTruestringlevel3No default provided.Description of third level of classificationTruestringlevel3 descriptionNo default provided.Fourth level of classificationTruestringlevel4No default provided.Description of fourth level of classificationTruestringlevel4 descriptionNo default provided.Complete ATC code for compoundTruestringTruelevel5No default provided.WHO/INN name for the compoundTruestringwho nameexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinlevel1level1_descriptionlevel2level2_descriptionlevel3level3_descriptionlevel4level4_descriptionlevel5who_idwho_namerelatedatc classificationsNo default provided.The availability type for the drug (0 = discontinued, 1 = prescription only, 2 = over the counter)Trueintegeravailability typeTrueNo default provided.A single related resource. Can be either a URI or set of nested resource data.True/chembl/api/data/biotherapeutic/schemato_oneTrueNo default provided.Many related resources. Can be either a list of URIs or list of individually nested resource data.Trueto_manyTruePrimary key. Unique identifier for each of the molecular components of biotherapeutics in ChEMBL (e.g., antibody chains, recombinant proteins, synthetic peptides).TrueintegerTruecomponent idNo default provided.Type of molecular component (e.g., 'PROTEIN','DNA','RNA').Truestringcomponent typeNo default provided.Description/name of molecular component.TruestringdescriptionNo default provided.Name of the species from which the sequence is derived.TruestringorganismSequence of the biotherapeutic component.TruestringsequenceNo default provided.NCBI tax ID for the species from which the sequence is derived. May be null for humanized monoclonal antibodies, synthetic peptides etc.Trueintegertax idexactrangegtgteltlteinisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactrangegtgteltlteinisnullcomponent_idcomponent_typeorganismtax_idrelatedbiocomponentsNo default provided.Description of the biotherapeutic.TruestringdescriptionNo default provided.Sequence notation generated according to the HELM standard (http://www.openhelm.org/home). Currently for peptides onlyTruestringhelm notationTrueNo default provided.Unicode string data. Ex: "Hello World"Truestringmolecule chembl idexactisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinmolecule_chembl_idhelm_notationrelatedbiotherapeuticIndicates that the drug has a black box warningintegerblack box warning-1Indicates whether the compound is a chemical probeintegerchemical probe-1Shows whether a drug is dosed as a racemic mixture (0), single stereoisomer (1) or is an achiral molecule (2)integerchiralityTrueNo default provided.Many related resources. Can be either a list of URIs or list of individually nested resource data.Trueto_manyNo default provided.Identifier for the entry in the cross-referenced databasestringTruexref idNo default provided.Name for the entry in the cross-referenced database, where applicableTruestringxref nameNo default provided.Unicode string data. Ex: "Hello World"stringxref srcrelatedcross referencesIndicates that the drug is dosed in this form (e.g., a particular salt)booleandosed ingredientNo default provided.Earliest known approval year for the moleculeTrueintegerfirst approval-1Indicates whether this is known to be the first compound of its class (e.g., acting on a particular target).integerfirst in classTrueNo default provided.Unicode string data. Ex: "Hello World"Truestringhelm notationIndicates whether the molecule is inorganic (i.e., containing only metal atoms and <2 carbon atoms)integerinorganic flagNo default provided.Maximum phase of development reached for the compound (4 = approved). Null where max phase has not yet been assigned.Truedecimalmax phaseNo default provided.Unicode string data. Ex: "Hello World"stringmolecule chembl idTrueNo default provided.A single related resource. Can be either a URI or set of nested resource data.Trueto_oneTrueNo default provided.Unicode string data. Ex: "Hello World"Truestringactive chembl idNo default provided.Unicode string data. Ex: "Hello World"stringmolecule chembl idTrueNo default provided.Unicode string data. Ex: "Hello World"Truestringparent chembl id111molecule_chembl_idparent_chembl_idactive_chembl_idrelatedmolecule hierarchyTrueNo default provided.A single related resource. Can be either a URI or set of nested resource data.Trueto_oneNo default provided.Calculated ALogPTruedecimalalogpNo default provided.Number of aromatic ringsTrueintegeraromatic ringsNo default provided.Molecular formula for the full compound (including any salt)Truestringfull molformulaNo default provided.Molecular weight of the full compound including any saltsTruedecimalfull mwtNo default provided.Number hydrogen bond acceptorsTrueintegerhbaNo default provided.Number hydrogen bond donorsTrueintegerhbdNo default provided.Number of heavy (non-hydrogen) atomsTrueintegerheavy atomsNo default provided.Molecular weight of parent compoundTruedecimalmw freebaseNo default provided.np_likeness_scoreTruedecimalnp likeness scoreNo default provided.Number of violations of Lipinski's rule-of-five, using HBA and HBD definitionsTrueintegernum ro5 violationsNo default provided.Polar surface areaTruedecimalpsaNo default provided.Weighted quantitative estimate of drug likeness (as defined by Bickerton et al., Nature Chem 2012)Truedecimalqed weightedNo default provided.Indicates whether the compound passes the rule-of-three (mw < 300, logP < 3 etc)Truestringro3 passNo default provided.Number rotatable bondsTrueintegerrtbexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactrangegtgteltlteinisnullalogparomatic_ringsfull_molformulafull_mwthbahbdheavy_atomsmed_chem_friendlymolecular_speciesmw_freebasenum_ro5_violationspsaqed_weightedro3_passrtbnp_likeness_scorerelatedmolecule propertiesTrueNo default provided.A single related resource. Can be either a URI or set of nested resource data.Trueto_oneNo default provided.Canonical smiles, generated using pipeline pilotTruestringcanonical smilesMDL Connection table representation of compoundTruestringmolfileNo default provided.IUPAC standard InChI for the compoundTruestringTruestandard inchiNo default provided.IUPAC standard InChI key for the compoundstringstandard inchi keyexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinrelatedmolecule structuresTrueNo default provided.Many related resources. Can be either a list of URIs or list of individually nested resource data.Trueto_manyNo default provided.Synonym for the compoundTruestringmolecule synonymNo default provided.Type of name/synonym (e.g., TRADE_NAME, RESEARCH_CODE, USAN)stringsyn typeNo default provided.Synonym for the compoundTruestringsynonymsexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinrelatedmolecule synonymsNo default provided.Type of molecule (Small molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Unknown)Truestringmolecule type-1Indicates whether the compound is natural product-derived (currently curated only for drugs)integernatural productIndicates whether the drug is known to be administered orally.booleanoral-1Indicates orphan designation, i.e. intended for use against a rare condition (1 = yes, 0 = no, -1 = preclinical compound ie not a drug)integerorphanIndicates whether the drug is known to be administered parenterallybooleanparenteralNo default provided.Indicates whether a molecule is a small molecule polymer (e.g., polistyrex)Trueintegerpolymer flagNo default provided.Preferred name for the moleculeTruestringpref name-1Indicates that the molecule is a pro-drug (see molecule hierarchy for active component, where known)integerprodrugTrueNo default provided.Floating point numeric data. Ex: 26.73TruefloatscoreMOLIndications whether the molecule has a small molecule structure or a protein sequence (MOL indicates an entry in the compound_structures table, SEQ indications an entry in the protein_therapeutics table, NONE indicates an entry in neither table, e.g., structure unknown)stringstructure typeIndicates that a drug has a therapeutic application (as opposed to e.g., an imaging agent, additive etc).booleantherapeutic flagIndicates whether the drug is known to be administered topically.booleantopicalNo default provided.Where the compound has been assigned a USAN name, this indicates the stem, as described in the USAN_STEM table.Truestringusan stemNo default provided.Definition of the USAN stemTruestringusan stem definitionNo default provided.Where the compound has been assigned a USAN name, this indicates the substemTruestringusan substemNo default provided.The year in which the application for a USAN/INN name was madeTrueintegerusan yearNo default provided.Indicates whether the drug is known to have a veterinary product. A veterinary product may also be a medicinal product for Human use. (1 = yes, 0 = no, -1 = preclinical compound ie not a drug).integerveterinaryFlag indicating whether the drug has been withdrawn in at least one country (not necessarily in the US)booleanwithdrawn flag2exactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullin2exactisnullexactisnullexactrangegtgteltlteinisnull2exactisnullexactrangegtgteltlteinisnullexactisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactisnullexactrangegtgteltlteinisnull12222exactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactisnullexactisnullexactisnullexactisnullexactisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactisnullexactisnullexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactiexactcontainsicontainsistartswithstartswithendswithiendswithsearchregexiregexisnullinexactrangegtgteltlteinisnullexactrangegtgteltlteinisnullexactisnullavailability_typebiotherapeuticblack_box_warningchiralitydosed_ingredientfirst_approvalfirst_in_classinorganic_flaghelm_notationmax_phasemolecule_chembl_idmolecule_hierarchymolecule_propertiesmolecule_structuresmolecule_typenatural_productoralparenteralpolymer_flagpref_nameprodrugstructure_typetherapeutic_flagtopicalusan_stemusan_stem_definitionusan_substemusan_yearwithdrawn_flagchemical_probeorphan