General
Preferred name
safusidenib
Synonyms
DS-1001b ()
AB-291 ()
DS-1001 ()
DS-1001b (DS 1001) ()
AB-291 FREE ACID ()
DS-1001 FREE ACID ()
P&D ID
PD127491
CAS
1898207-64-1
1898206-17-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
Neoplasm
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 DS-1001b is an orally active, blood-brain permeable, potent IDH-1 (isocitrate dehydrogenase-1) mutant inhibitor. DS-1001b has antitumor activity[1][2][3].
PRICE 132
DESCRIPTION The chemical structure for safusidenib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an antineoplastic agent. Chemical SMILES match this structure to the mutant IDH1 inhibitor DS-1001b (Daiichi Sankyo) , which is a Phase 2 clinical candidate. DS-1001b is orally bioavaliable and is able to cross the blood-brain-barrier. (GtoPdb)
DESCRIPTION DS-1001b is an inhibitor of mutant IDH-1 (Isocitrate Dehydrogenase-1) (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
7
Cayman Chemical Bioactives
31488
ChEMBL Drugs
CHEMBL4650282
CHEMBL4651002
DrugBank
DB18745
Guide to Pharmacology
11884
MedChem Express Bioactive Compound Library
HY-129545
HY-145594
Selleckchem Bioactive Compound Library
ds-1001b
TargetMol Bioactive Compound Library
T7741
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
534.03
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
4
cLogP
7.56
TPSA
85.33
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Isocitrate Dehydrogenase (IDH)
Dehydrogenase
IDH1
Source data