General
Preferred name
KIN001-127
Synonyms
BMS-509744 ()
ITK inhibitor ()
P&D ID
PD038858
CAS
439574-61-5
Tags
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
ITK inhibitor is a potent inhibitor of ITK.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
BOC Sciences Bioactive Compounds
LINCS compound set
Welcome Trust Cancer Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Molecular Weight
609.24
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
3
cLogP
5.3
TPSA
103.87
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ITK
Pathway
Protein Tyrosine Kinase/RTK
Source data
