General Information of Drug (ID: DMI79JN)

Drug Name
SKF-96365
Synonyms
SK-96365; 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-1H-imidazole; 1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole; 1-[beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl]-1H-imidazole; 1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole; AC1L2XSB; SKF-96365 free base; Imidazole-based ligand, 15; KBioSS_000197; KBioGR_000197; BSPBio_001477; SCHEMBL722014; GTPL2441; CHEMBL258502; KBio3_000394; KBio2_000197; KBio3_000393; KBio2_005333; KBio2_002765; CHEBI:91847; BDBM21164
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 402.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C22H27ClN2O3
IUPAC Name
1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride
Canonical SMILES
COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC.Cl
InChI
InChI=1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19;/h5-14,17,22H,3-4,15-16H2,1-2H3;1H
InChIKey
FWLPKVQUECFKSW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
104955
ChEBI ID
CHEBI:145121
CAS Number
130495-35-1
TTD ID
D0HQ1W

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Insulin (INS) OTZ85PDU INS_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2441).
2 The transient receptor potential channel antagonist SKF96365 is a potent blocker of low-voltage-activated T-type calcium channels. Br J Pharmacol. 2010 Jul;160(6):1464-75.
3 Insulin increases surface expression of TRPC6 channels in podocytes: role of NADPH oxidases and reactive oxygen species. Am J Physiol Renal Physiol. 2012 Feb 1;302(3):F298-307. doi: 10.1152/ajprenal.00423.2011. Epub 2011 Oct 26.