Compound Detail
CHEMBL206985
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Basic Information
| ChEMBL ID | CHEMBL206985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNVHSXNAGNPGIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
237.7
MW (Da)
1.68
ALogP
4
HBA
2
HBD
95.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.97 | 4.97 | 10600.0 | 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 | = | 10600.0 | nM | 4.97 | Inhibition of IKK beta | 16686533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| 16686533 | 10.1021/jm0510979 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine