TIRAPAZAMINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1UD32YR59G

Structure
InChI Key ORYDPOVDJJZGHQ-UHFFFAOYSA-N
Smile Nc1n[n+]([O-])c2ccccc2[n+]1[O-]
InChI
InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6N4O2
Molecular Weight 178.15
AlogP -0.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 92.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT DNA disrupting agent
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 19.94
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.21-6.09

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Rhabdomyosarcoma 2 D012208 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 27314-97-2
ChEBI 78887
ChEMBL CHEMBL50882
DrugBank DB04858
FDA SRS 1UD32YR59G
PubChem 135413511
SureChEMBL SCHEMBL4048
ZINC ZINC000001607808
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