Details of the Drug

General Information of Drug (ID: DM471IG)

Drug Name

SR-33805

Synonyms

SR 33805; 121345-64-0; AC1L2VL6; SCHEMBL7268066; CHEMBL287679; DTXSID40153241; 3,4-Dimethoxy-N-methyl-N(3-(4-((1-methyl-2-(1-methylethyl)-1H-indol-3-yl)sulfonyl)phenoxy)propyl)benzeneethanamine; N-[3-[4-[(1-Methyl-2-isopropyl-1H-indol-3-yl)sulfonyl]phenoxy]propyl]-N-methyl-3,4-dimethoxyphenethylamine; N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propan-1-amine; Benzeneethanamine, 3,4-dimethoxy-N-methyl-N(3-(4-((1-methyl-2-(1-methylethyl)-1H-indol-3-yl)sulfonyl)phen

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

564.7

Logarithm of the Partition Coefficient (xlogp)

6.5

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C32H40N2O5S
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine
Canonical SMILES: CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C32H40N2O5S/c1-23(2)31-27-10-7-8-11-28(27)34(4)32(31)40(35,36)26-15-13-25(14-16-26)39-21-9-19-33(3)20-18-24-12-17-29(37-5)30(22-24)38-6/h7-8,10-17,22-23H,9,18-21H2,1-6H3
InChIKey: GCVFQRRBTCHIPK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9850876
TTD ID: D0A8ZD

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 800002436)
2	Effects of a new class of calcium antagonists, SR33557 (fantofarone) and SR33805, on neuronal voltage-activated Ca++ channels. J Pharmacol Exp Ther. 1994 Dec;271(3):1348-52.