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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65
CHEMBL65
Compound Name CAMPTOTHECIN
ChEMBL Synonyms NSC-94600
Max Phase 0
Trade Names
Molecular Formula C20H16N2O4

Additional synonyms for CHEMBL65 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
Standard InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15 ...
Download InChI
Standard InChI Key VSJKWCGYPAHWDS-FQEVSTJZSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL65

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
348.4 348.111 1.75 1 79.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.24 4.76 .95 .95 2 26 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL65. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VSJKWCGYPAHWDS-FQEVSTJZSA-N
PubChem SID: 11111011 SID: 11112910 SID: 11113913 SID: 124882713 SID: 124882714 SID: 26732559 SID: 26747153 SID: 26747154 SID: 26747155 SID: 399733 SID: 50104726 SID: 50104727 SID: 50123248 SID: 85231337 SID: 90340668
Wikipedia Camptothecin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65



ACToR 7689-03-4 31456-25-4
Atlas camptothecin
BindingDB 50008923
ChEBI 27656
DrugBank DB04690
eMolecules 488811 29544775
EPA CompTox Dashboard DTXSID0030956
FDA SRS XT3Z54Z28A
IBM Patent System 1599BA47E5E339713C31353E35CBC5E4
KEGG Ligand C01897
LINCS LSM-4611
Mcule MCULE-1654983682 MCULE-7286604863
MolPort MolPort-001-738-745
Nikkaji J2.266G
PDBe EHD
PubChem 24360
PubChem: Thomson Pharma 14900711 14827597
Selleck Camptothecine
SureChEMBL SCHEMBL6038
ZINC ZINC000000105309

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