Details of the Drug

General Information of Drug (ID: DMNGEFS)

Drug Name
(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
Synonyms
CHEMBL175596; 872872-12-3; (2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine; SCHEMBL4045943; CTK3C4931; DTXSID20468426; BDBM50179205; AKOS030605024; Indeno[1,2-c]pyrazol-3-amine, 1,4-dihydro-N-phenyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.29
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H13N3
IUPAC Name
N-phenyl-1,4-dihydroindeno[1,2-c]pyrazol-3-amine
Canonical SMILES
C1C2=CC=CC=C2C3=C1C(=NN3)NC4=CC=CC=C4
InChI
InChI=1S/C16H13N3/c1-2-7-12(8-3-1)17-16-14-10-11-6-4-5-9-13(11)15(14)18-19-16/h1-9H,10H2,(H2,17,18,19)
InChIKey
HXUODZKNCJWKGP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11550535
CAS Number
872872-12-3
TTD ID
D05WTI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-derived growth factor receptor beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 (6,7-Dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamines: platelet-derived growth factor receptor tyrosine kinase inhibitors with broad ant... J Med Chem. 2005 Dec 29;48(26):8163-73.