General
Preferred name
[<sup>3</sup>H]2MeSADP
Synonyms
[33P]2MeSADP ()
2MeSADP ()
2-Methylthioadenosine diphosphate trisodium salt ()
2-Methylthioadenosine diphosphate (sodium salt) ()
[33P]2MeSADP ()
P&D ID
PD046351
CAS
34983-48-7
475193-31-8
Tags
drug candidate
available
Drug indication
Discovery agent
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 2-Methylthioadenosine diphosphate trisodium salt is a potent purinergic agonist displaying selectivity for P2Y1, P2Y12 and P2Y13 receptors (pEC50 = 8.29 and 9.05 for P2Y1 and P2Y12, EC50 = 19 nM for P2Y13), which induces platelet aggregation and shape change and inhibits cyclic AMP accumulation in platelets exposed to prostaglandin E1. (BOC Sciences Bioactive Compounds)
Compound Sets
8
BOC Sciences Bioactive Compounds
2-methylthioadenosine-diphosphate-trisodium-salt-cas-475193-31-8-item-150667
Cayman Chemical Bioactives
21230
Concise Guide to Pharmacology 2017/18
1710
1763
1774
Concise Guide to Pharmacology 2019/20
1710
1763
1774
Concise Guide to Pharmacology 2021/22
1710
1763
1774
Concise Guide to Pharmacology 2023/24
1710
1763
1774
DrugMAP
DMGADQ1
DM218VZ
Guide to Pharmacology
1710
1763
1774
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
473.02
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
6
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.02
TPSA
232.6
Fraction CSP3
0.55
Chiral centers
5.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data