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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL202880
TTD ID
D0P6TX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.