Compound Detail
CHEMBL473734
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 | CHEMBL473734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGKHYFSWFRIGOW-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
5.32
ALogP
2
HBA
1
HBD
52.6
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 7.8 | 7.55 | 16.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2590.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1540.02 | nM | 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 | = | 16.0 | nM | 7.8 | Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1-... | 19183043 |
| C-C chemokine receptor type 1 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [125I]MIP-1-alpha from human recombinant CCR1 expressed in HEK29... | 19183043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19183043 | 10.1021/jm801416q | C-C chemokine receptor type 1 | 2 |
| 19183043 | 10.1021/jm801416q | Liver microsomes | 2 |
| 19183043 | 10.1021/jm801416q | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine