Details of the Drug

General Information of Drug (ID: DM9UK6D)

Drug Name

Dihydro-quinolinone

Synonyms

553-03-7; 3,4-Dihydro-2(1H)-quinolinone; 3,4-Dihydroquinolin-2(1H)-one; Hydrocarbostyril; 1,2,3,4-tetrahydroquinolin-2-one; 3,4-Dihydrocarbostyril; 3,4-dihydro-1H-quinolin-2-one; 2-Oxo-1,2,3,4-tetrahydroquinoline; Dihydro-quinolinone; 3,4-Dihydro-2-quinolinol; o-Aminohydrocinnamic acid lactam; UNII-2CKG6TX32F; 3,4-Dihydro-2(1H)quinolinone; 2(1H)-Quinolinone, 3,4-dihydro-; NSC 49170; 2CKG6TX32F; CHEMBL388582; TZOYXRMEFDYWDQ-UHFFFAOYSA-N; 3,4-DIHYDRO-2-QUINOLONE; MFCD00016722; 3,4-Dihydro-2(1H)-quinolinone, 98%

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)

147.17

Topological Polar Surface Area (xlogp)

1.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C9H9NO
IUPAC Name: 3,4-dihydro-1H-quinolin-2-one
Canonical SMILES: C1CC(=O)NC2=CC=CC=C21
InChI: InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKey: TZOYXRMEFDYWDQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 64796
CAS Number: 553-03-7
TTD ID: D08BIP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	In silico search for multi-target anti-inflammatories in Chinese herbs and formulas. Bioorg Med Chem. 2010 Mar 15;18(6):2204-2218.
2	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
3	Efficacy, pharmacodynamics, and safety of VX-702, a novel p38 MAPK inhibitor, in rheumatoid arthritis: results of two randomized, double-blind, placebo-controlled clinical studies. Arthritis Rheum. 2009 May;60(5):1232-41.
4	Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.
5	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.