Compound Detail
CHEMBL193093
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Basic Information
| ChEMBL ID | CHEMBL193093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMUACLADCKCNKZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.16
ALogP
4
HBA
2
HBD
69.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.89 | 5.3725 | 1300.0 | 4 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.51 | 5.51 | 3103.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of IKK beta | 16686533 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of IKK-beta in the presence of 5uM ATP | 17850214 |
| Histone deacetylase 6 | IC50 | = | 3103.0 | nM | 5.51 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Unchecked | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of TNFalpha-induced NFkappaB activation in mouse NIH-3T3 cells expres... | 27352042 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 11200.0 | nM | 4.95 | Inhibitory concentration against human recombinant I-kappa-B-kinase 2 from 3 exp... | 15911271 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 11200.0 | nM | 4.95 | Inhibitory concentration against human recombinant I-kappa-B-kinase 2 from 3 exp... | 15911271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 17850214 | 10.1042/bj20070797 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 15911271 | 10.1016/j.bmcl.2005.03.090 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
| 17850214 | 10.1042/bj20070797 | Unchecked | 2 |
| 17850214 | 10.1042/bj20070797 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Protein kinase C alpha type | 1 |
| 17850214 | 10.1042/bj20070797 | RAC-beta serine/threonine-protein kinase | 1 |
| 17850214 | 10.1042/bj20070797 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-3 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-2 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-1 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 5 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 4 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 12 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 13 | 1 |
| 17850214 | 10.1042/bj20070797 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 17850214 | 10.1042/bj20070797 | Rho-associated protein kinase 2 | 1 |
| 18702457 | 10.1021/jm800285f | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine