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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
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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