General
Preferred name
PMID24749861C34
Synonyms
compound 34 [PMID: 24749861] ()
P&D ID
PD048770
Tags
covalent binder
drug candidate
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 34 is a potent inhibitor of the protein kinase ERN1 (endoplasmic reticulum to nucleus signaling 1) . ERN1 is also known as IRE1, and is an endoplasmic reticulum stress sensor which signals to the nucleus in response to abnormal levels of unfolded proteins. Compound 34 inhibits the RNAse domain of the protein, like other salicylaldehyde-containing molecules. (GtoPdb)
Compound Sets
3
CovalentInDB
CI001512
DrugMAP
DMJNQE1
Guide to Pharmacology
8129
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
287.09
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
0.56
TPSA
120.62
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data