7-ETHYL-10-HYDROXYCAMPTOTHECIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0H43101T0J

Structure
InChI Key FJHBVJOVLFPMQE-QFIPXVFZSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase I inhibitor Other DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 26000 -
Enzyme Hydrolase
- - - - 13
Enzyme Isomerase
70-320 1000-5500 - - 1
Enzyme Transferase
- - - - 40

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8988
ChEMBL CHEMBL837
DrugBank DB05482
EPA CompTox DTXSID4040399
FDA SRS 0H43101T0J
Human Metabolome Database HMDB0060510
Guide to Pharmacology 6925
KEGG C11173
PDB RS4
PubChem 104842
SureChEMBL SCHEMBL34018
ZINC ZINC000004099013
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