Details of the Drug

General Information of Drug (ID: DMDZAVU)

• Drug Name: 1-(3-benzyloxy-pyridin-2-yl)-3-phenyl-urea
• Synonyms: CHEMBL202880; 877458-90-7; 1-PHENYL-3-(3-(PHENYLMETHOXY)(2-PYRIDYL))UREA; 1-(3-benzyloxy-pyridin-2-yl)-3-phenyl-urea; AC1MUB56; MolPort-006-755-114; KS-000029KK; ZINC13680188; BDBM50181486; AKOS016664347; MS-8514; 1-(3-benzyloxy-2-pyridyl)-3-phenyl-urea; 3-[3-(benzyloxy)pyridin-2-yl]-1-phenylurea; 1-phenyl-3-(3-phenylmethoxypyridin-2-yl)urea; Urea, N-(3-phenyl)-N'-[3-(phenylmethoxy)-2-pyridinyl]-

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); 319.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H17N3O2
  IUPAC Name: 1-phenyl-3-(3-phenylmethoxypyridin-2-yl)urea
  Canonical SMILES: C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC=C3
  InChI: InChI=1S/C19H17N3O2/c23-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)24-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,23)
  InChIKey: PFMMAQSZJDBKOE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3663276
  TTD ID: D0P6TX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase A (PPIA)	TTL2ADK	PPIA_HUMAN	Inhibitor	[1]

References

• [1] Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A. J Med Chem. 2006 Feb 9;49(3):900-10.