General
Preferred name
ALK-IN-1
Synonyms
AP26113-analog ()
AP26113 ()
Brigatinib analog ()
AP26113-analog (ALK-IN-1) ()
P&D ID
PD010656
CAS
1197958-12-5
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
LINCS compound set
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
528.22
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
5.4
TPSA
82.62
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Target
ALK
EGFR (C797S/del19)
EGFR (del19)
IGF-1R
ALK, EGFR
Anaplastic lymphoma kinase (ALK)
ALK,EGFR
MOA
ALK tyrosine kinase receptor inhibitor
Source data
