Details of the Drug

General Information of Drug (ID: DM6PVWS)

Drug Name

Telenzepine

Synonyms

Telenzepine [INN]; Telenzepinum [Latin]; Telenzepino [Spanish]; 80880-90-6; UNII-0990EG3K10; 0990EG3K10; NCGC00015987-05; DSSTox_RID_80752; DSSTox_CID_25209; 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one; DSSTox_GSID_45209; 4,9-Dihydro-3-methyl-4-((4-methyl-1-piperazinyl)acetyl)-10H-thieno(3,4-b)(1,5)benzodiazepin-10-one; Telenzepine hydrochloride; Telenzepine dihydrochloide; C19H22N4O2S; Telenzepino; Telenzepinum; Telenzepine dihydrochloride hydrate; BY-802; [3H](+)telenzepine

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Preregistration	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

370.5

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H22N4O2S
IUPAC Name: 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Canonical SMILES: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C
InChI: InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
InChIKey: VSWPGAIWKHPTKX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5387
ChEBI ID: CHEBI:92110
CAS Number: 80880-90-6
TTD ID: D0FX4J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Antagonist	[2]
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Chronic obstructive pulmonary disease

ICD Disease Classification

CA22

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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 800000603)
2	The existence of stable enantiomers of telenzepine and their stereoselective interaction with muscarinic receptor subtypes. Mol Pharmacol. 1989 Apr;35(4):477-83.
3	Effect of telenzepine, an M1-selective muscarinic receptor antagonist, in patients with nocturnal asthma. Pulm Pharmacol. 1994 Apr;7(2):91-7.