Compound Detail
CHEMBL247245
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
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL247245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJYNUAMIRAIFBQ-NRFANRHFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
2.82
ALogP
5
HBA
5
HBD
125.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 8.1 | 7.5467 | 8.0 | 3 |
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 8.0 | nM | 8.1 | Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced... | 17720492 |
| C-C chemokine receptor type 2 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [125]MCP1 from CCR2 in human PBMCs | 17720492 |
| C-C chemokine receptor type 2 | IC50 | = | 260.0 | nM | 6.58 | Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induce... | 17720492 |
| C-C chemokine receptor type 3 | IC50 | = | 750.0 | nM | 6.12 | Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells | 17720492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 2 | 3 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 3 | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 1 | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | Histamine H2 receptor | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | Sigma non-opioid intracellular receptor 1 | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 5 | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | Mu-type opioid receptor | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | Unchecked | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine