Details of the Drug

General Information of Drug (ID: DM7T2FO)

Drug Name

Naltiazem hydrochloride

Synonyms

Ro-23-6152; Ro-23-6152/001; (+)-cis-3-Acetoxy-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2,3,4,5-tetrahydronaphtho[1,2-b][1,4]thiazepin-4-one hydrochloride

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):
1

Molecular Weight

501

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C26H29ClN2O4S
IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate;hydrochloride
Canonical SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC3=CC=CC=C32)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC.Cl
InChI: InChI=1S/C26H28N2O4S.ClH/c1-17(29)32-23-24(19-9-12-20(31-4)13-10-19)33-25-21-8-6-5-7-18(21)11-14-22(25)28(26(23)30)16-15-27(2)3;/h5-14,23-24H,15-16H2,1-4H3;1H/t23-,24+;/m1./s1
InChIKey: SFTBZKFGODNAKF-ITNPDYSASA-N

Cross-matching ID

PubChem CID: 130121
CAS Number: 108383-96-6
TTD ID: D00ICM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Blocker	[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 800000300)
2	Assessment of hyperglycemia after calcium channel blocker overdoses involving diltiazem or verapamil. Crit Care Med. 2007 Sep;35(9):2071-5.