Compound Detail
CHEMBL60066
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Basic Information
| ChEMBL ID | CHEMBL60066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEWOMDUCJFJDGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
2.36
ALogP
2
HBA
1
HBD
56.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 149.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 1000.0 | nM | 6.0 | Evaluated using an SPA assay with recombinant human [125I]IL-8 and membranes pre... | 11459668 |
| Homo sapiens | IC50 | = | 1100.0 | nM | 5.96 | Ability to block GRO-alpha driven human neutrophil chemotaxis | 11459668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine