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Depression 6A70-6A7Z Withdrawn from market [1]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
CHEBI:94775
CAS Number
302-40-9
DrugBank ID
DB09023
TTD ID
D07KYU

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Gene/Protein Processing [3]
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.
3 Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.