Details of the Drug

General Information of Drug (ID: DM35VEI)

• Drug Name: 3-(Benzyloxy)Pyridin-2-Amine
• Synonyms: 2-Amino-3-benzyloxypyridine; 24016-03-3; 3-(BENZYLOXY)PYRIDIN-2-AMINE; 3-Benzyloxy-2-pyridylamine; 2-Pyridinamine, 3-(phenylmethoxy)-; 3-benzyloxypyridin-2-amine; 3-Benzyloxy-2-aminopyridine; 2-amino-3-benzyloxy pyridine; 3-phenylmethoxypyridin-2-amine; 2-Amino-3-(benzyloxy)pyridine; 3-(phenylmethoxy)-2-pyridinamine; MFCD00006316; 3IP; 3-(phenylmethoxy)-2-pyridylamine; 2-Amino-3-benzyloxypyridine, 98.5%; 3-(benzyloxy)pyridin-2-amin; 3fty; EINECS 245-983-9; PubChem2575; 1w7h; ACMC-1COKO; AC1L3JRI; Maybridge1_001801; AC1Q52WQ

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); 200.24
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H12N2O
  IUPAC Name: 3-phenylmethoxypyridin-2-amine
  Canonical SMILES: C1=CC=C(C=C1)COC2=C(N=CC=C2)N
  InChI: InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
  InChIKey: NMCBWICNRJLKKM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90334
  CAS Number: 24016-03-3
  UNII: IYW7T7718Z
  DrugBank ID: DB02352
  TTD ID: D09DRF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[1]
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
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.