Compound Detail
CHEMBL143814
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N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL143814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTHWQYXBJYENPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.1
MW (Da)
7.54
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | Ki | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | Ki | = | 224.0 | nM | 6.65 | Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine rece... | 10579830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579830 | 10.1021/jm990316l | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine