General
Preferred name
AS-604850
Synonyms
AS 604850 ()
AS604850 ()
(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
drug candidate
natural product
available
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()] ]]
Cell lines
0
Organisms
1
Compound Sets
8
AdooQ Bioactive Compound Library
A11197
Cayman Chemical Bioactives
10010175
Drug Repurposing Hub
DrugBank
DB07503
DrugMAP
DM9IUSM
Guide to Pharmacology
6024
Selleckchem Bioactive Compound Library
as-604850
TargetMol Bioactive Compound Library
T6394
External IDs
17
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)
Pathway
PI3K/Akt/mTOR signaling
Target
PI3K??
PIK3CA, PIK3CG
PI3K
MOA
PI3K inhibitor
Source data