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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL417016
CHEMBL417016
Compound Name LACTOSE, ANHYDROUS
ChEMBL Synonyms LACTOSE | LACTOSE MONOHYDRATE | LACTOSE, ANHYDROUS
Max Phase 3
Trade Names
Molecular Formula C12H22O11

Additional synonyms for CHEMBL417016 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[ ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2- ...
Download InChI
Standard InChI Key GUBGYTABKSRVRQ-DCSYEGIMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL417016

Molecule Features

CHEMBL417016 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
FatigueD0052211ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease2ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
Urinary Bladder, OveractiveD053201EFO:1000781overactive bladder2ClinicalTrials
Borderline Personality DisorderD001883HP:0012076Borderline personality disorder2ClinicalTrials
PeriodontitisD010518EFO:0000649periodontitis0ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
Hepatitis B, ChronicD019694EFO:0004197hepatitis B infection2ClinicalTrials
AsthmaD001249EFO:0000270asthma3ClinicalTrials
DiarrheaD003967HP:0002014diarrhea3ClinicalTrials
Nutrition DisordersD009748EFO:0001069nutritional disorder2ClinicalTrials
Raynaud DiseaseD011928EFO:1001145Raynaud disease3ClinicalTrials
Hepatitis ED016751EFO:0007303hepatitis E2ClinicalTrials
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder2ClinicalTrials
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials
Gastroesophageal RefluxD005764EFO:0003948gastroesophageal reflux disease2ClinicalTrials
Non-alcoholic Fatty Liver DiseaseD065626EFO:0003095non-alcoholic fatty liver disease3ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Paramyxoviridae InfectionsD018184EFO:0007419Paramyxoviridae infectious disease2ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence2ClinicalTrials
Hepatitis AD006506EFO:0007305hepatitis A2ClinicalTrials
Acute Lung InjuryD055371EFO:0004610acute lung injury2ClinicalTrials
Nocturnal EnuresisD0532062ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease2ClinicalTrials
Bronchiolitis ObliteransD001989EFO:0007183bronchiolitis obliterans2ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder2ClinicalTrials
Respiratory Distress Syndrome, AdultD012128EFO:1000637acute respiratory distress syndrome2ClinicalTrials
Vitamin D DeficiencyD014808EFO:0003762vitamin D deficiency3ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection2ClinicalTrials

Clinical Data

ClinicalTrials.gov LACTOSE, ANHYDROUS
The Cochrane Collaboration LACTOSE, ANHYDROUS

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
342.3 342.1162 -5.4 4 189.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.02 - -3.39 -3.39 0 23 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL417016. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GUBGYTABKSRVRQ-DCSYEGIMSA-N
PubChem SID: 144212183
Wikipedia Lactose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL417016



ACToR 1336-90-9
BindingDB 50370453
Brenda 3242 6122 173183 210756 158546 161111 13152 4063 31686 16882 30010 114 97413 23596 110678 113254 9488 111992 50355 114616
ChEBI 36218
eMolecules 718242 30154801
EPA CompTox Dashboard DTXSID2023193 DTXSID5058723
FDA SRS 13Q3A43E0S
Human Metabolome Database HMDB0041627
IBM Patent System BAA6521E0353E2ECE5B6203A87110067 36D48DD94C79EF7823063A5DD217643E
KEGG Ligand C01970
Metabolights MTBLC36218
MolPort MolPort-006-110-166
Nikkaji J223.917E
PDBe LAT
PubChem 6134
PubChem: Thomson Pharma 15123295
Rhea 36218
SureChEMBL SCHEMBL782
ZINC ZINC000004095761

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GUBGYTABKSRVRQ-DCSYEGIMSA-N spacer
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