General
Preferred name
CNX-774
Synonyms
CNX 774 ()
CNX-774 ()
P&D ID
PD010378
CAS
1202759-32-7
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 CNX-774 is a selective, orally available and irreversible (covalent) Bruton's tyrosine kinase (BTK) inhibitor, tested preclinically for autoimmune diseases, and B-cell non-Hodgkin's lymphoma. Its chemical structure is shown in . CNX-774 forms a covalent bond with Cys481 within the active site of the enzyme. (GtoPdb)
DESCRIPTION CNX-774 is an orally active, irreversible and selective BTK inhibitor, with an IC50 of < 1 nM. CNX-774 specifically targets Cysteine 481 of Btk for covalent modification[1][2].
PRICE 127
DESCRIPTION CNX-774 is a potent Btk inhibitor (IC50 < 1 nM) (BOC Sciences Bioactive Compounds)
DESCRIPTION CNX-774 is a highly specific, irreversible, and orally active BTK inhibitor (IC50<1 nM). (TargetMol Bioactive Compound Library)
Compound Sets
10
AdooQ Bioactive Compound Library
A13233
BOC Sciences Bioactive Compounds
cnx-774-cas-1202759-32-7-item-84-462326
Cayman Chemical Bioactives
21475
CovalentInDB
CI003308
CovBinderInPDB
CBR000446
Drug Repurposing Hub
Guide to Pharmacology
9266
MedChem Express Bioactive Compound Library
HY-13943
Selleckchem Bioactive Compound Library
cnx-774
TargetMol Bioactive Compound Library
T2302
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
499.18
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
4.77
TPSA
130.16
Fraction CSP3
0.04
Chiral centers
0.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
BTK
MOA
Bruton's Tyrosine Kinase (BTK) Inhibitor
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Source data