General
Preferred name
vodobatinib
Synonyms
K-0706 ()
K0706 ()
SCO-088 ()
Vodobatinib (K0706) ()
SCO-088, SUN K706, SUN-K0706 ()
P&D ID
PD133897
CAS
1388803-90-4
Tags
available
drug candidate
Drug indication
Chronic myeloid leukaemia
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The chemical structure submitted to the WHO for the INN vodobatinib is identical to that of Sun Pharma's Bcr-Abl1 inhibitor SCO-088 (SUN-K706, or simply K0706), via a PubChem structure match. SCO-088 is a third generation Bcr-Abl1 tyrosine kinase inhibitor that was developed to combat treatment resistant chronic myeloid leukemia (CML) . (GtoPdb)
Compound Sets
9
ChEMBL Drugs
CHEMBL4130229
DrugBank
DB17141
DrugMAP
DMRD1IW
Guide to Pharmacology
11191
MedChem Express Bioactive Compound Library
HY-137460
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
vodobatinib
TargetMol Bioactive Compound Library
T8882
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
453.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
4
cLogP
4.98
TPSA
71.09
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.33
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Target
Bcr-Abl1
Bcr-Abl
Source data