General
Preferred name
CHEMBL3092413
Synonyms
PMID24900608C1 ()
compound 1 [PMID: 24900608] ()
P&D ID
PD050864
Tags
probe
drug candidate
Drug indication
Discovery agent
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
1
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
352.12
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.58
TPSA
60.46
Fraction CSP3
0.28
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
G-protein coupled receptor 39
Source data
