HYDROXYCAMPTOTHECIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9Z01632KRV

Structure
InChI Key HAWSQZCWOQZXHI-FQEVSTJZSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1
InChI
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16N2O5
Molecular Weight 364.36
AlogP 1.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 101.65
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Isomerase
- 110 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 81395
ChEMBL CHEMBL273862
DrugBank DB12385
FDA SRS 9Z01632KRV
KEGG C17939
SureChEMBL SCHEMBL25875
ZINC ZINC000003979155
CONTENTS