General
Preferred name
PMID24900237C15
Synonyms
compound 15 [PMID: 24900237] ()
P&D ID
PD051253
Tags
available
drug candidate
probe
Drug indication
Discovery agent
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
P&D approved
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
49
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
Compound 15 is the lead compound identified in a medicinal chemistry study to identify orally available anaplastic lymphoma kinase (ALK) inhibitors with antitumor activity .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
4
DrugMAP
Guide to Pharmacology
Probe Miner (suitable probes)
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Molecular Weight
496.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
2
cLogP
3.66
TPSA
122.47
Fraction CSP3
0.44
Chiral centers
4.0
Largest ring
7.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
