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Depression	6A70-6A7Z	Withdrawn from market	[1]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: 595EG71R3F
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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.