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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL837
CHEMBL837
Compound Name 7-ETHYL-10-HYDROXY-CAMPTOTHECIN
ChEMBL Synonyms 7-Ethyl-10-Hydroxy-Camptothecin
Max Phase 0
Trade Names
Molecular Formula C22H20N2O5

Additional synonyms for CHEMBL837 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4
Standard InChI InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12 ...
Download InChI
Standard InChI Key FJHBVJOVLFPMQE-QFIPXVFZSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL837

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
392.4 392.1372 2.45 2 99.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 5.75 1.9 1.87 2 29 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL837. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FJHBVJOVLFPMQE-QFIPXVFZSA-N
PubChem SID: 515301
Wikipedia SN-38

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL837



ACToR 113015-38-6 86639-52-3
BindingDB 50418088
Brenda 159265
ChEBI 8988
DrugBank DB05482
eMolecules 2726126
EPA CompTox Dashboard DTXSID4040399
FDA SRS 0H43101T0J
Guide to Pharmacology 6925
Human Metabolome Database HMDB0060510
IBM Patent System 5EA67013234D5BE8486CACE7150775A1
KEGG Ligand C11173
Mcule MCULE-4181372030
Metabolights MTBLC8988
MolPort MolPort-002-317-317
Nikkaji J353.490A
PubChem 104842
PubChem: Drugs of the Future 12012598
PubChem: Thomson Pharma 14805294 14805295
Selleck sn-38
SureChEMBL SCHEMBL34018
ZINC ZINC000004099013

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