Compound Detail
CHEMBL61835
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 | CHEMBL61835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKQZOGAYHQQAJX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
1.11
ALogP
4
HBA
1
HBD
90.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.7 | 5.36 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 130.0 | nM | 6.89 | Evaluated using an SPA assay with recombinant human [125I]IL-8 and membranes pre... | 11459668 |
| Homo sapiens | IC50 | = | 2000.0 | nM | 5.7 | Ability to block GRO-alpha driven human neutrophil chemotaxis | 11459668 |
| Homo sapiens | IC50 | = | 9600.0 | nM | 5.02 | Functional selectivity was assessed in a neutrophil chemotaxis assay using N-for... | 11459668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Homo sapiens | 2 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | C-X-C chemokine receptor type 2 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | C-X-C chemokine receptor type 1 | 1 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Calcitonin receptor | 1 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Gastrin/cholecystokinin type B receptor | 1 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Endothelin receptor type B | 1 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Neuropeptide Y receptor type 1 | 1 |
| 11459668 | 10.1016/s0960-894x(01)00326-2 | Somatostatin receptor | 1 |
| 31732253 | 10.1016/j.ejmech.2019.111853 | C-X-C chemokine receptor type 1 | 1 |
| 31732253 | 10.1016/j.ejmech.2019.111853 | C-X-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine