General
Preferred name
SAICAR
Synonyms
SAICAR (hydrate) ()
P&D ID
PD053763
CAS
3031-95-6
Tags
available
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 SAICAR is an intermediate of de novo purine nucleotide biosynthesis, activates pyruvate kinase isoform M2 (PKM2) in an isozyme-selective manner, with an EC50 of 0.3 mM. SAICAR stimulates PKM2 and promotes cancer cell survival in glucose-limited conditions[1][2].
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
454.07
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
-3.15
TPSA
263.99
Fraction CSP3
0.54
Chiral centers
5.0
Largest ring
5.0
QED
0.17
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data