General
Preferred name
PMID24915291C31
Synonyms
compound 31 [PMID: 24915291] ()
P&D ID
PD050878
CAS
1431727-00-2
Tags
drug candidate
covalent binder
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 Compound 31 is a novel 2,5-diaminopyrimidin based analogue repoted as an irreversible inhibitor of Bruton’s tyrosine kinase (Btk) . The selectivity profile of this compound differs from that of , the first irreversible Btk inhibitor discovered. (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
7
Concise Guide to Pharmacology 2017/18
8148
Concise Guide to Pharmacology 2019/20
8148
Concise Guide to Pharmacology 2021/22
8148
Concise Guide to Pharmacology 2023/24
8148
CovalentInDB
CI001346
DrugMAP
DMN7QB8
Guide to Pharmacology
8148
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
560.18
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
4
cLogP
6.18
TPSA
125.11
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data