Compound Detail
CHEMBL2332942
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Basic Information
| ChEMBL ID | CHEMBL2332942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGIMKOQYMXCKHI-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.53
ALogP
6
HBA
3
HBD
97.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 7.75 | 7.46 | 18.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 18.0 | nM | 7.75 | Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293... | 23414842 |
| C-C chemokine receptor type 1 | IC50 | = | 68.0 | nM | 7.17 | 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 | Liver microsomes | 2 |
| 23414842 | 10.1016/j.bmcl.2012.12.095 | Hepatocyte | 2 |
| 23414842 | 10.1016/j.bmcl.2012.12.095 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine