General
Preferred name
EphB1-IN-1
Synonyms
P&D ID
PD128347
CAS
1980036-18-7
Tags
covalent binder
available
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 EphB1-IN-1 (Compound 1) is a potent EphB1 inhibitor with IC50s of 3.0, 15 and 220 nM against EphB1G703C, EphB1T697G and EphB1WT, respectively[1].
Compound Sets
3
CovBinderInPDB
CBR001460
CBR001459
MedChem Express Bioactive Compound Library
HY-115481
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
362.03
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
3.91
TPSA
87.14
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
EGFR
Member status
member
MOA
Irreversible Inhibitor for Receptor Tyrosine Kinase EphB3
Pathway
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Source data