General
Preferred name
BO1
Synonyms
N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide ()
Bcr-abl Inhibitor II ()
P&D ID
PD048798
CAS
607702-99-8
Tags
available
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
BO1 is a non-ATP competitive, negative allosteric modulator of mutant BCR-ABL kinase proteins , for example the fusion protein carrying the ABLT315I gatekeeper mutation which confers resistance to . Interation of BO1 with the wild type protein shows an ATP-competitive/mixed mechanism of action .
(GtoPdb)
DESCRIPTION
Bcr-abl Inhibitor II is an inhibitor of c-Abl ( IC50 = 44nM) and SRC kinases (KI = 354 nM).
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
Enamine Bioactive Compounds
Guide to Pharmacology
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
363.03
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
4.36
TPSA
54.88
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
