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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 147.17
  Logarithm of the Partition Coefficient (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]

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

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.