Details of the Drug

General Information of Drug (ID: DM0I6UT)

• Drug Name: 3,4-Dihydro-1H-quinolin-(2E)-ylideneamine
• Synonyms: CHEMBL6656; 2-amino-3,4-dihydroquinoline; 1,2,3,4-tetrahydroquinolin-2-imine; AC1N2ULT; 3,4-Dihydro-1H-quinolin-(2E)-ylideneamine; 3,4-dihydroquinolin-2-amine; SCHEMBL2075410; RREBANHDFAXBEZ-UHFFFAOYSA-N; MolPort-005-905-447; HMS1726J17; 3,4-Dihydroquinolin-2(1H)-imine; ZINC13014981; BDBM50062129; AKOS006221851; AKOS008024789; MCULE-1322063466; 3,4-Dihydro-1H-quinolin-(2Z)-ylideneamine

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); 146.19
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C9H10N2
  IUPAC Name: 3,4-dihydroquinolin-2-amine
  Canonical SMILES: C1CC(=NC2=CC=CC=C21)N
  InChI: InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
  InChIKey: RREBANHDFAXBEZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4102304
  TTD ID: D0K4SV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_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
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] Bicyclic amidine inhibitors of nitric oxide synthase: discovery of perhydro-iminopyrindine and perhydro-iminoquinoline as potent, orally active inh... Bioorg Med Chem Lett. 2005 Apr 15;15(8):1997-2001.