General
Preferred name
FSCPX
Synonyms
P&D ID
PD015187
CAS
156547-56-7
Tags
available
covalent binder
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 Irreversible A1 adenosine receptor antagonist (LOPAC library)
Cell lines
0
Organisms
2
Compound Sets
3
CovalentInDB
LOPAC library
MedChem Express Bioactive Compound Library
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
506.16
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
2.86
TPSA
133.12
Fraction CSP3
0.48
Chiral centers
0.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
A1
Pathway
GPCR/G protein
Target
Adenosine Receptor
Source data