General
Preferred name
PMID25980951-Compound-16
Synonyms
P&D ID
PD085423
Tags
drug candidate
probe
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
10
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 ]]
Cell lines
1
Organisms
0
Compound Sets
2
DrugMAP
Probe Miner (suitable probes)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
605.34
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
5
Aromatic Ring Count
1
cLogP
2.23
TPSA
112.24
Fraction CSP3
0.71
Chiral centers
6.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
