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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
BindinDB 50008923
ChEBI 27656
DrugBank DB04690
eMolecules 488811 29544775
FDA SRS XT3Z54Z28A
IBM Patent System 1599BA47E5E339713C31353E35CBC5E4
IBM Patents US20030055072 US20010014737 US20050171342 US20050255502 EP1098647B1 WO2006075160A1 WO1997044063A2 US20070166388 WO2006063707A2 US6987109 US20090118188 US20080131399 US20070041981 US20070032457 EP2146727A1 EP1773808A2 WO2009143945A1 EP1660051A1 EP2135085A1 EP2089540A2 EP1392849B1 US20090117070 US7838619 EP2205564A1 WO2009038745A1 WO2009018429A2 WO2008016793A2 US20020137797 EP1458720B1 US6939955 US20100022476 US7652051 US20040002441 US20060024295 WO2003013541A1 US7612077 EP1385514B1 EP1781667B1 WO2010030835A2 WO2002024719A1 EP1960371A1 US20060034943 US20040259079 EP1487840A1 WO2007071752A2 US6046159 EP2073860A1 WO2010042890A2 WO2006112930A2 US20080274993 US20050169926 WO2002012223A2 US20060014731 US20090318661 WO2010059969A2 WO2005060951A2 EP1720523A2 EP1506779A1 EP1485378A1 US20030073611 WO2004002453A1 WO2010091808A1 US20030138864 US20030149256 WO2006004867A2 WO2009003082A2 WO2001044190A1 WO2000025787A1 EP1723178A2 WO2003022282A1 US20100068174 WO2004058700A2 EP1667528A1 WO2008109374A1 WO2001032149A1 WO2001066722A1 US20040018988 US20050256148 US7384977 US20090082457 US20080255035 EP1501799A1 US20090281024 WO2009063240A1 EP1294707A2 US6217886 US6111108 WO2005016967A2 US20050002865 US7135190 EP1678169B1 US20030212087 US20050288318 US20080045492 WO1997035839A1 WO2004113394A2 EP0823901A1 EP1261341A2 EP1863805A1 US20030003094
KEGG Ligand C01897
LINCS LSM-4611
Mcule MCULE-1654983682
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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