Compound Detail
CHEMBL4454067
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 | CHEMBL4454067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKAXCCYDVZAIBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
2.29
ALogP
7
HBA
1
HBD
106.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 34.0 | nM | 7.47 | Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adhere... | 30595446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30595446 | 10.1016/j.bmcl.2018.12.024 | C-C chemokine receptor type 1 | 1 |
| 30595446 | 10.1016/j.bmcl.2018.12.024 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine