Compound Detail
CHEMBL2332935
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Basic Information
| ChEMBL ID | CHEMBL2332935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWMBFLXRBZIVNF-IBGZPJMESA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
446.9
MW (Da)
3.21
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 9.44 | 9.1933 | 0.4 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 0.36 | nM | 9.44 | Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293... | 23414842 |
| C-C chemokine receptor type 1 | IC50 | = | 0.36 | nM | 9.44 | Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1a... | 23659855 |
| C-C chemokine receptor type 1 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition ... | 23414842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414842 | 10.1016/j.bmcl.2012.12.095 | C-C chemokine receptor type 1 | 2 |
| 23414842 | 10.1016/j.bmcl.2012.12.095 | Hepatocyte | 2 |
| 23414842 | 10.1016/j.bmcl.2012.12.095 | Liver microsomes | 1 |
| 23414842 | 10.1016/j.bmcl.2012.12.095 | Caco-2 | 1 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | C-C chemokine receptor type 1 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine