Details of the Drug

General Information of Drug (ID: DM29EFJ)

Drug Name

phenylacetylrinvanil

Synonyms

PhAR; IDN5890

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): 3

Molecular Weight (mw)

535.8

Logarithm of the Partition Coefficient (xlogp)

8.7

Rotatable Bond Count (rotbonds)

21

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C34H49NO4
IUPAC Name: (Z,12R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-(2-phenylacetyl)octadec-9-enamide
Canonical SMILES: CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)C(=O)CC2=CC=CC=C2
InChI: InChI=1S/C34H49NO4/c1-3-4-5-15-20-30(32(37)25-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-34(38)35-27-29-23-24-31(36)33(26-29)39-2/h10,12-14,16,18-19,23-24,26,30,36H,3-9,11,15,17,20-22,25,27H2,1-2H3,(H,35,38)/b16-10-/t30-/m1/s1
InChIKey: STBVSPCCKFGBHG-DJVRBGHSSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Activator	[2]

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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: 4283).
2	Development of the first ultra-potent "capsaicinoid" agonist at transient receptor potential vanilloid type 1 (TRPV1) channels and its therapeutic ... J Pharmacol Exp Ther. 2005 Feb;312(2):561-70.