Details of the Drug

General Information of Drug (ID: DMYF243)

Drug Name
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
Synonyms
1-cyclohexyl-3-(3-phenylpropyl)urea; n-cyclohexyl-n'-(propyl)phenyl urea; 1cr6; AC1L1HZG; Cambridge id 7261612; SCHEMBL4955112; CHEMBL1231909; MolPort-001-541-502; HMS3604O05; BDBM129287; ZINC2047156; STK432683; AKOS003282138; DB04213; MCULE-7021945009; ST50924514; (cyclohexylamino)-N-(3-phenylpropyl)carboxamide; US8815951, 104; SR-01000883953
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) 260.37
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H24N2O
IUPAC Name
1-cyclohexyl-3-(3-phenylpropyl)urea
Canonical SMILES
C1CCC(CC1)NC(=O)NCCCC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKey
HBTZVNKXMFGOOJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4358
DrugBank ID
DB04213
TTD ID
D07MHZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Soluble epoxide hydrolase (EPHX2) TT7WVHI HYES_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
Soluble epoxide hydrolase (EPHX2) DTT EPHX2 8.78E-01 -0.1 -0.27
Soluble epoxide hydrolase (EPHX2) DTT EPHX2 4.40E-02 -0.18 -0.42
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.