General Information of Drug (ID: DM2D4WQ)

Drug Name
Tetrazolyl urea derivative 1
Synonyms PMID26413912-Compound-55
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 376.7
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H16Cl3N5O
IUPAC Name
N-(4-chlorobutyl)-5-[(2,4-dichlorophenyl)methyl]-N-methyltetrazole-2-carboxamide
Canonical SMILES
CN(CCCCCl)C(=O)N1N=C(N=N1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl3N5O/c1-21(7-3-2-6-15)14(23)22-19-13(18-20-22)8-10-4-5-11(16)9-12(10)17/h4-5,9H,2-3,6-8H2,1H3
InChIKey
OQUPYXJFXDHGPX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44232540
TTD ID
D0RZ5O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.