General
Preferred name
THCCC
Synonyms
PHCCC(4Me) ()
compound 3 [PMID: 21105727] ()
P&D ID
PD047870
CAS
1259532-01-8
Tags
available
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 PHCCC(4Me) (THCCC), a PHCCC analog, is a dual mGluR2 (IC50 of 1.5 ¦ÌM) negative allosteric modulator and mGluR3 (EC50 of 8.9 ¦ÌM) positive allosteric modulator[1].
Compound Sets
2
Guide to Pharmacology
6223
MedChem Express Bioactive Compound Library
HY-114863
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
308.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
2.96
TPSA
70.92
Fraction CSP3
0.22
Chiral centers
2.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
mGluR
Pathway
GPCR/G protein
Neuronal Signaling
Source data