Compound Detail
CHEMBL207987
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL207987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPWLRKVVLBSIPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
12
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.02
ALogP
4
HBA
2
HBD
95.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.96 | 4.96 | 11000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.133 | hr | Homo sapiens |
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 | = | 11000.0 | nM | 4.96 | Inhibition of IKK beta | 16686533 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human IKK-beta using TMB as substrate after 30 mins by spectrophot... | 21708416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686533 | 10.1021/jm0510979 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 16686533 | 10.1021/jm0510979 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 16686533 | 10.1021/jm0510979 | No relevant target | 1 |
| 16686533 | 10.1021/jm0510979 | Caco-2 | 1 |
| 16686533 | 10.1021/jm0510979 | Liver microsomes | 1 |
| 16686533 | 10.1021/jm0510979 | Cytochrome P450 1A2 | 1 |
| 16686533 | 10.1021/jm0510979 | Cytochrome P450 2C9 | 1 |
| 16686533 | 10.1021/jm0510979 | Cytochrome P450 2C19 | 1 |
| 16686533 | 10.1021/jm0510979 | Cytochrome P450 2D6 | 1 |
| 16686533 | 10.1021/jm0510979 | Cytochrome P450 3A4 | 1 |
| 16686533 | 10.1021/jm0510979 | HeLa | 1 |
| 21708416 | 10.1016/j.ejmech.2011.05.066 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine