General
Preferred name
IKK16
Synonyms
IKK 16 ()
IKK-16 ()
IKK Inhibitor VII ()
IKK 16 (hydrochloride) ()
IKK-16 (IKK Inhibitor VII) ()
IKK-16 (hydrochloride) ()
P&D ID
PD010532
CAS
873225-46-8
1186195-62-9
Tags
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 Selective inhibitor of IKK (Tocriscreen Plus)
DESCRIPTION Selective inhibitor of IKK (Tocriscreen Total)
DESCRIPTION Potent, selective VEGFR-2 inhibitor (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
14
AdooQ Bioactive Compound Library
A12836
Cayman Chemical Bioactives
13313
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
EOS100669
EUbOPEN Chemogenomics Library
EUB0000647
LINCS compound set
10228-102
MedChem Express Bioactive Compound Library
HY-13687
HY-13687A
Selleckchem Bioactive Compound Library
ikk-16
TargetMol Bioactive Compound Library
T6176
Tocris Bioactive Compound Library
2539
Tocriscreen Plus
2539
Tocriscreen Total
ZINC Tool Compounds
ZINC000013831229
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
483.21
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
6
Aromatic Ring Count
4
cLogP
5.8
TPSA
61.36
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Pathway
NF-¦ÊB
NF-??b
Autophagy
NF-??
NF-κB
Target
IKK2
IKK
LRRK2
IKK1
IKBKB
I??/IKK,LRRK2
Primary Target
I?B Kinase
MOA
Inhibitor
IKK inhibitor
Recommended Cell Concentration
None
Source data