Details of the Drug

General Information of Drug (ID: DM7FWK8)

Drug Name
1-(4-(benzyloxy)phenyl)-3-hydroxyurea
Synonyms CHEMBL259768
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) 258.269
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H14N2O3
IUPAC Name
1-hydroxy-3-(4-phenylmethoxyphenyl)urea
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NO
InChI
InChI=1S/C14H14N2O3/c17-14(16-18)15-12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,15,16,17)
InChIKey
PQXBDBGXKAZUEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11637459
TTD ID
D0D7ES

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Analogues of N-hydroxy-N'-phenylthiourea and N-hydroxy-N'-phenylurea as inhibitors of tyrosinase and melanin formation. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3607-10.