Details of the Drug

General Information of Drug (ID: DMOP8IJ)

Drug Name

OAG

Synonyms

1-oleoyl-2-acetyl-sn-glycerol

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

398.6

Logarithm of the Partition Coefficient (xlogp)

6.9

Rotatable Bond Count (rotbonds)

21

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H42O5
IUPAC Name: (2-acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate
Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C
InChI: InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+
InChIKey: PWTCCMJTPHCGMS-ZHACJKMWSA-N

Cross-matching ID

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 3 (TRPC3)	TTNVC34	TRPC3_HUMAN	Activator	[3]
Short transient receptor potential channel 6 (TRPC6)	TTRBT3W	TRPC6_HUMAN	Activator	[3]
Short transient receptor potential channel 7 (TRPC7)	TT06GRA	TRPC7_HUMAN	Activator	[4]

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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: 2436).
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	Molecular and functional characterization of a novel mouse transient receptor potential protein homologue TRP7. Ca(2+)-permeable cation channel that is constitutively activated and enhanced by stimulation of G protein-coupled receptor. J Biol Chem. 1999 Sep 24;274(39):27359-70.