7-ETHYL-10-HYDROXYCAMPTOTHECIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 0H43101T0J
EPA CompTox DTXSID4040399

Structure

InChI Key FJHBVJOVLFPMQE-QFIPXVFZSA-N
Smiles CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChI
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20N2O5
Molecular Weight 392.41
AlogP 2.35
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 101.65
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
DNA topoisomerase I inhibitor INHIBITOR Other DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 13
Enzyme Isomerase
70-320 - - - 1
Enzyme Transferase
- - - - 40
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
70-320 0.43-810 - - 1-40
Mus musculus
- 8.9-40 - - -

Target Conservation

Protein: DNA topoisomerase I
Description: DNA topoisomerase 1
Organism : Homo sapiens
P11387 ENSG00000198900

Related Entries

Cross References

Resources Reference
ChEBI 8988
ChEMBL CHEMBL837
DrugBank DB05482
FDA SRS 0H43101T0J
Human Metabolome Database HMDB0060510
Guide to Pharmacology 6925
KEGG C11173
PDB RS4
PubChem 104842
SureChEMBL SCHEMBL34018
ZINC ZINC000004099013
CONTENTS