Details of the Drug

General Information of Drug (ID: DMALVX2)

Drug Name
AMELTOLIDE
Synonyms ADD-75073; Ameltolide < Prop INN; LY-201116; 4-Amino-N-(2,6-dimethylphenyl)benzamide
Indication
Disease Entry ICD 11 Status REF
Epileptic seizures 8A61-8A6Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 240.3
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H16N2O
IUPAC Name
4-amino-N-(2,6-dimethylphenyl)benzamide
Canonical SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
HZIWGOAXOBPQGY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13086
ChEBI ID
CHEMBL6342
CAS Number
787-93-9
TTD ID
D07IIX
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008003)
2 Synthesis and pharmacological evaluation of a major metabolite of ameltolide, a potent anticonvulsant. J Med Chem. 1991 Apr;34(4):1253-7.