Structure

InChI Key MXPOCMVWFLDDLZ-NSCUHMNNSA-N
Smile Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O
InChI
InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16N2O4
Molecular Weight 288.3
AlogP 0.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 82.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 5

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 114560-48-4
ChEMBL CHEMBL73822
DrugBank DB12593
FDA SRS H464ZO600O
PubChem 5813717
SureChEMBL SCHEMBL367964
ZINC ZINC000001536777