Details of the Drug

General Information of Drug (ID: DMYCHTD)

Drug Name
PHENMEDIPHAM
Synonyms
Phenmedipham; 13684-63-4; 3-((Methoxycarbonyl)amino)phenyl m-tolylcarbamate; Fenmedifam; BETANAL; Phenmediphame; Kemifam; Spin-aid; Synbetan P; Schering 4072; Schering-38584; Caswell No. 648B; Morton EP 452; UNII-UJE31KXP78; Phenmediphame [ISO-French]; EP-452; SN 4075; CCRIS 6091; Phenmedipham [ANSI:BSI:ISO]; SN-38584; HSDB 1402; Methyl 3-(3-methylcarbaniloyloxy)carbanilate; Methyl 3-(m-tolylcarbamoyloxy)phenylcarbamate; EINECS 237-199-0; [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate; 3-(Carbomethoxyamino)phenyl 3-me
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) 300.31
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H16N2O4
IUPAC Name
[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Canonical SMILES
CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC
InChI
InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
IDOWTHOLJBTAFI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24744
ChEBI ID
CHEBI:81734
CAS Number
13684-63-4
TTD ID
D07PAF

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

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inh... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6793-6.