Details of the Drug

General Information of Drug (ID: DM0J92L)

Drug Name
Benactyzine
Synonyms
BENACTYZINE; Benactyzin; Benzactyzine; 302-40-9; Diethylaminoethyl benzilate; Benactizina; Benactizina [DCIT]; Benactizina [Italian]; 2-(Diethylamino)ethyl benzilate; Benactyzine [INN:BAN]; Benactyzinum [INN-Latin]; Benacticina [INN-Spanish]; 2-Diethylaminoethyl benzilate; UNII-595EG71R3F; 2-(Diethylamino)ethyl diphenylglycolate; HSDB 3292; Benzilic acid, 2-(diethylamino)ethyl ester; EINECS 206-123-8; Diphenylglycolic acid 2-(diethylamino)ethyl ester; BRN 2156821; Benzilic acid beta-diethylaminoethyl ester; CHEMBL70352
Indication
Disease Entry ICD 11 Status REF
Depression 6A70-6A7Z Withdrawn from market [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.4
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H25NO3
IUPAC Name
2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Canonical SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
InChIKey
IVQOFBKHQCTVQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9330
ChEBI ID
CHEMBL94775
CAS Number
302-40-9
UNII
595EG71R3F
DrugBank ID
DB09023
TTD ID
D07KYU
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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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benactyzine as an aid in treatment of anxiety states; preliminary report. Br Med J. 1957 Feb 9;1(5014):306-10.
2 The muscarinic antagonists aprophen and benactyzine are noncompetitive inhibitors of the nicotinic acetylcholine receptor. Mol Pharmacol. 1987 Nov;32(5):678-85.