General Information of Drug (ID: DMCFKX0)

Drug Name
1-Adamantan-1-yl-3-phenyl-urea
Synonyms
1-Adamantan-1-yl-3-phenyl-urea; CHEMBL516415; AC1MJEST; BAS 00102691; AC1Q5LN2; Oprea1_605405; Oprea1_553434; SCHEMBL1420838; IFLab1_001789; 1-(1-adamantyl)-3-phenylurea; 1-adamantan-1-yl-3-phenylurea; N-(1-adamantyl)-N'-phenylurea; 1-(1-adamantyl)-3-phenyl-urea; BOKJLWGPHOTBQZ-UHFFFAOYSA-N; MolPort-000-434-175; HMS1417B07; 3-(adamantan-1-yl)-1-phenylurea; ZINC6645734; N-adamantanyl(phenylamino)carboxamide; STL263876; BDBM50267067; AKOS003625202; AKOS001215839; MCULE-9094796377; UPCMLD0ENAT5533559:001; ST50049182; SR-01000363562
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) 270.37
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C17H22N2O
IUPAC Name
1-(1-adamantyl)-3-phenylurea
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20)
InChIKey
BOKJLWGPHOTBQZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3090774
TTD ID
D0Z6SS

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 Salicylate-urea-based soluble epoxide hydrolase inhibitors with high metabolic and chemical stabilities. Bioorg Med Chem Lett. 2009 Mar 15;19(6):1784-9.