Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 42NI1P5Q1X

Structure

InChI Key DZBUGLKDJFMEHC-UHFFFAOYSA-N
Smile c1ccc2nc3ccccc3cc2c1
InChI
InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H9N
Molecular Weight 179.22
AlogP 3.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.89
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT DNA disrupting agent PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 6840 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 36420
ChEMBL CHEMBL39677
EPA CompTox DTXSID8059766
FDA SRS 42NI1P5Q1X
PubChem 9215
SureChEMBL SCHEMBL8339
ZINC ZINC000008579950