Compound Detail
CHEMBL142752
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O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL142752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKNYYGISCULARV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.2
MW (Da)
5.44
ALogP
4
HBA
4
HBD
76.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | Ki | = | 9.0 | nM | 8.05 | 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