General
Preferred name
AS-604850
Synonyms
(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE ()
PI 3-Kg inhibitor II ()
P&D ID
PD005127
CAS
648449-76-7
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 35
DESCRIPTION AS-604850 is a specific and ATP-competitive PI3K?? inhibitor (IC50: 250 nM), 18-fold more selective for PI3K?? than PI3K??, and over 80-fold selectivity for PI3K?? than PI3K??/??.
DESCRIPTION AS-604850 is a specific and ATP-competitive PI3Kγ inhibitor (IC50: 250 nM), 18-fold more selective for PI3Kγ than PI3Kα, and over 80-fold selectivity for PI3Kγ than PI3Kδ/β. (TargetMol Bioactive Compound Library)
DESCRIPTION AS-604850 is a potent, selective and ATP-competitive PI3Kγ inhibitor. (Enamine Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
9
AdooQ Bioactive Compound Library
A11197
Cayman Chemical Bioactives
10010175
Drug Repurposing Hub
DrugBank
DB07503
DrugMAP
DM9IUSM
Enamine Bioactive Compounds
EBC-251227
Guide to Pharmacology
6024
Selleckchem Bioactive Compound Library
as-604850
TargetMol Bioactive Compound Library
T6394
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
284.99
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
1
cLogP
2.33
TPSA
64.63
Fraction CSP3
0.09
Chiral centers
0.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PI3K
PI3Kα
PI3Kβ
PI3Kγ
PI3Kδ
PIK3CA, PIK3CG
MOA
PI3K inhibitor
Pathway
PI3K/Akt/mTOR signaling
Source data