General
Preferred name
PSB1114
Synonyms
PSB 1114 ()
P&D ID
PD048568
CAS
1657025-60-9
Tags
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
PSB 1114, a β,γ-difluoromethylene derivative of 4-thio-UTP, is a potent, selective P2Y2 agonist (EC50 = 0.134 μM),with >60-fold selectivity versus P2Y4 and P2Y6 receptors. PSB 1114 activated P2Y2, P2Y4 and P2Y6 with EC50 values of 0.134, 9.3 and 7.0 μM respectively
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Molecular Weight
533.95
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.43
TPSA
238.07
Fraction CSP3
0.6
Chiral centers
6.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
