Compound Detail
CHEMBL305470
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O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@@H]2CC[C@H]1CC(c1c[nH]c3ccc(O)cc13)C2
Basic Information
| ChEMBL ID | CHEMBL305470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXMACHURRRRGBT-QYUCKZHOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
6.89
ALogP
3
HBA
3
HBD
68.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 6.6 | 6.4 | 251.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | Ki | = | 251.0 | nM | 6.6 | Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B e... | 11514164 |
| C-C chemokine receptor type 2 | Ki | = | 251.19 | nM | 6.6 | Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B e... | 11514164 |
| C-C chemokine receptor type 2 | Ki | = | 630.96 | nM | 6.2 | Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B e... | 11514164 |
| C-C chemokine receptor type 2 | Ki | = | 630.0 | nM | 6.2 | Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B e... | 11514164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514164 | 10.1016/s0960-894x(01)00397-3 | C-C chemokine receptor type 2 | 5 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 1A | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 1B | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 1E | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 1F | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 2A | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 2B | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 2C | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 6 | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | 5-hydroxytryptamine receptor 7 | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | D(2) dopamine receptor | 1 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine