Details of the Drug

General Information of Drug (ID: DMG90YW)

Drug Name

Siratiazem

Synonyms

LR-A-113

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)

442.6

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H30N2O4S
IUPAC Name: [(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(propan-2-yl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Canonical SMILES: CC(C)N(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H30N2O4S/c1-16(2)25(4)14-15-26-20-8-6-7-9-21(20)31-23(22(24(26)28)30-17(3)27)18-10-12-19(29-5)13-11-18/h6-13,16,22-23H,14-15H2,1-5H3/t22-,23+/m1/s1
InChIKey: VVZILLNNYUUOIY-PKTZIBPZSA-N

Cross-matching ID

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)

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 800001949)
2	Comparison of the effects of diltiazem and its analogue siratiazem on contractility in arteries, ileum and cardiac muscle. J Auton Pharmacol. 1995 Apr;15(2):107-13.