General
Preferred name
phenylacetylrinvanil
Synonyms
P&D ID
PD056317
Tags
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Phenylacetylrinvanil is a 'capsaicinoid' type compound that is a potent agonist/activator at the transient receptor potential vanilloid type 1 (TRPV1) channel . Structurally it is a hybrid molecule that combines a vanillamide TRPV1 agonist with a non-polyunsaturated fatty acid-derived cannabinoid CB2 receptor-selective ligand. Phenylacetylrinvanil has demonstrated some antineoplastic activity against leukaemia cells in vitro and in vivo and against cervical cancer tumour cell lines . (GtoPdb)
Compound Sets
4
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
External IDs
3
Properties
(calculated by RDKit )
Molecular Weight
551.36
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
21
Ring Count
2
Aromatic Ring Count
2
cLogP
7.82
TPSA
84.86
Fraction CSP3
0.53
Chiral centers
1.0
Largest ring
6.0
QED
0.09
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data