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ChEMBL Statistics
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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)[ ...
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Standard InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2- ...
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Standard InChI Key GUBGYTABKSRVRQ-DCSYEGIMSA-N

Molecule Features

CHEMBL417016 compound icon
Drug Type:Natural Product 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL417016

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 -4.26 4 189.52 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
9.08 7.74 .09 -.97 0 23 0.25

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
ChEBI 36218
eMolecules 718242 30154801
EPA CompTox Dashboard DTXSID2023193 DTXSID5058723
FDA SRS 13Q3A43E0S
Human Metabolome Database HMDB41627
IBM Patent System BAA6521E0353E2ECE5B6203A87110067 36D48DD94C79EF7823063A5DD217643E
KEGG Ligand C01970
Nikkaji J223.917E
PDBe LAT
PubChem 6134
PubChem: Thomson Pharma 15123295
SureChEMBL SCHEMBL782
ZINC ZINC04095761

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