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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292702
CHEMBL292702
Compound Name MAYTANSINE
ChEMBL Synonyms MAYTANSINE | MAITANSINE
Max Phase 0
Trade Names
Molecular Formula C34H46ClN3O10

Additional synonyms for CHEMBL292702 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC( ...
Download SMILES
Standard InChI InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46 ...
Download InChI
Standard InChI Key WKPWGQKGSOKKOO-RSFHAFMBSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL292702

Molecule Features

CHEMBL292702 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

Clinical Data

ClinicalTrials.gov MAYTANSINE
The Cochrane Collaboration MAYTANSINE

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
692.2 691.2872 3.53 5 156.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 13 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.82 - 3.63 3.62 1 48 0.35

Structural Alerts

There are 9 structural alerts for CHEMBL292702. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WKPWGQKGSOKKOO-RSFHAFMBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292702



ACToR 35846-53-8
ChEBI 6701
EPA CompTox Dashboard DTXSID00879995
FDA SRS 14083FR882
IBM Patent System 87DE7269516D6F81A70051CA7F643298
KEGG Ligand C10606
LipidMaps LMPK04000017
Metabolights MTBLC6701
PDBe 3GT
PubChem 5281828
SureChEMBL SCHEMBL61357
ZINC ZINC000004098792

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