Details of the Drug

General Information of Drug (ID: DMHOG7W)

Drug Name
SAG
Synonyms 1-stearoyl-2-arachidonoyl-sn-glycerol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 490.1
Logarithm of the Partition Coefficient (xlogp) 6.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H28ClN3OS
IUPAC Name
3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
Canonical SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl
InChI
InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3
InChIKey
VFSUUTYAEQOIMW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5284330
ChEBI ID
CHEBI:138438
CAS Number
364590-63-6
TTD ID
D0Y6ST
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Short transient receptor potential channel 2 (TRPC2) TTSJ9E7 Q3C1U7_HUMAN Activator [2]
Short transient receptor potential channel 6 (TRPC6) TTRBT3W TRPC6_HUMAN Activator [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Isocitrate dehydrogenase , mitochondrial (IDH2) OTTQA4PB IDHP_HUMAN Gene/Protein Processing [4]
Paired box protein Pax-6 (PAX6) OTOC9876 PAX6_HUMAN Gene/Protein Processing [4]
Sonic hedgehog protein (SHH) OTOG2BXF SHH_HUMAN Gene/Protein Processing [4]
Zinc finger protein GLI1 (GLI1) OT1BTAJO GLI1_HUMAN Gene/Protein Processing [4]
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: 2437).
2 A diacylglycerol-gated cation channel in vomeronasal neuron dendrites is impaired in TRPC2 mutant mice: mechanism of pheromone transduction. Neuron. 2003 Oct 30;40(3):551-61.
3 Direct activation of human TRPC6 and TRPC3 channels by diacylglycerol. Nature. 1999 Jan 21;397(6716):259-63.
4 Differential role of Pax6 and its interaction with Shh-Gli1-IDH2 axis in regulation of glioma growth and chemoresistance. J Biochem Mol Toxicol. 2023 Feb;37(2):e23241. doi: 10.1002/jbt.23241. Epub 2022 Oct 7.