Compound Detail
CHEMBL4586189
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CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4586189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRRUHZIKMAGKFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
3.03
ALogP
6
HBA
1
HBD
87.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 12.0 | nM | 7.92 | 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