Details of the Drug

General Information of Drug (ID: DML6SIE)

Drug Name

SQ32,910

Synonyms

SQ 32910; SQ-32,910; 138335-21-4; 1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one; 2H-1-Benzazepin-2-one, 1-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-, cis-(+-)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

420.5

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H27F3N2O2
IUPAC Name: 1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-2-one
Canonical SMILES: CC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(F)(F)F)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H27F3N2O2/c1-15-18(16-8-10-17(30-4)11-9-16)14-19-20(23(24,25)26)6-5-7-21(19)28(22(15)29)13-12-27(2)3/h5-11,15,18H,12-14H2,1-4H3
InChIKey: ZBCRNIFALVNVKY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15612142
CAS Number: 138335-21-4
TTD ID: D0V8ZD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Blocker	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Molecular determinants of drug binding and action on L-type calcium channels. Annu Rev Pharmacol Toxicol. 1997;37:361-96.