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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

Structural Alerts

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

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

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 ZINC00105309

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