Details of the Drug

General Information of Drug (ID: DM0VBUL)

Drug Name
Aprophen
Synonyms
Aprofene; Aprophen; Aprofen; Aprophenum; Aprofene [INN]; 3563-01-7; 2-Diethylaminoethyl 2,2-diphenylpropionate; Aprofenum [INN-Latin]; Aprofeno [INN-Spanish]; UNII-PL791XXJ7B; PL791XXJ7B; CHEMBL26505; 2-(Diethylamino)ethyl 2,2-diphenylpropanoate; 2,2-Diphenylpropionic acid 2-diethylaminoethyl ester; BRN 2509326; NCGC00160676-01; Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester; DSSTox_CID_26294; DSSTox_RID_81519; DSSTox_GSID_46294; alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester
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) 325.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H27NO2
IUPAC Name
2-(diethylamino)ethyl 2,2-diphenylpropanoate
Canonical SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
DIDYGLSKVUKRRP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71128
ChEBI ID
CHEMBL26505
CAS Number
3563-01-7
TTD ID
D0P1FJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M5 (CHRM5) TTH18TF ACM5_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The muscarinic antagonists aprophen and benactyzine are noncompetitive inhibitors of the nicotinic acetylcholine receptor. Mol Pharmacol. 1987 Nov;32(5):678-85.