Details of the Drug

General Information of Drug (ID: DM8TQC9)

Drug Name

Clentiazem

Synonyms

CLENTIAZEM; Clentiazem [INN]; Clentiazemum [INN-Latin]; UNII-40DK034DRC; 40DK034DRC; 96125-53-0; C22H25ClN2O4S; (+)-cis-2-(4-Methoxyphenyl)-3-acetoxy-5-(2-(N,N-dimethylamino)ethyl)-8-chloro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; Clentiazemum; 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (25-cis)-; 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-; AC1L1M5S; SCHEMBL33909

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

449

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H25ClN2O4S
IUPAC Name: [(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Canonical SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m1/s1
InChIKey: GYKFWCDBQAFCLJ-RTWAWAEBSA-N

Cross-matching ID

PubChem CID: 57026
CAS Number: 96125-53-0
TTD ID: D0F6GR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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 800000188)
2	Coronary and cardiac sensitivity to the vasoselective benzothiazepine-like calcium antagonist, clentiazem, in experimental heart failure. Cardiovasc Drugs Ther. 1997 Mar;11(1):71-9.