Details of the Drug

General Information of Drug (ID: DMQIC3L)

• Drug Name: 2-aminopyridine
• Synonyms: 2-AMINOPYRIDINE; 504-29-0; pyridin-2-amine; 2-Pyridinamine; 2-Pyridylamine; Aminopyridine; Pyridinamine; o-Aminopyridine; 2-aminopyridin; 2-Aminopryidine; Amino-2 pyridine; Pyridine, 2-amino-; 1,2-Dihydro-2-iminopyridine; alpha-Pyridylamine; alpha-Pyridinamine; 2-Pyridinylnitrene; alpha-Aminopyridine; Pyridin-2-ylamine; NSC 431; UNII-WSX981HEWU; 2-pyridinylamine; 2-amino pyridine; Pyridine, amino-; pyridin-2-yl-amine; .beta.-Pyridylamine; .alpha.-Pyridylamine; .alpha.-Pyridinamine; CCRIS 4747; .alpha.-Aminopyridine; 26445-05-6; HSDB 206

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); 94.11
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C5H6N2
  IUPAC Name: pyridin-2-amine
  Canonical SMILES: C1=CC=NC(=C1)N
  InChI: InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
  InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10439
  CAS Number: 504-29-0
  TTD ID: D07PYV

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]

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 brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

References

• [1] L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors. J Med Chem. 2009 Jul 23;52(14):4533-7.