Details of the Drug

General Information of Drug (ID: DM70YTF)

Drug Name

HTS-466284

Synonyms

4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline; 396129-53-6; LY-364947; LY364947; 4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline; 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE; TbetaR-I Inhibitor; LY 364947; ALK5 Inhibitor I; TGF-beta RI Kinase Inhibitor; 4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline; CHEMBL261454; Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor; 4-(3-pyridin-2-yl)(1h)-pyrazol-4-yl quinoline; 4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]quinoline; [3-(Pyridin-2-yl)-4-(4-quinonyl)]-1H-pyrazole; 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

272.3

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H12N4
IUPAC Name: 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4
InChI: InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
InChIKey: IBCXZJCWDGCXQT-UHFFFAOYSA-N