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
UNII
I61V87164A
DrugBank ID
DB17054
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.