Compound Detail
CHEMBL141127
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
C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1.[I-]
Basic Information
| ChEMBL ID | CHEMBL141127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVQBVFCRMDBRRL-UHFFFAOYSA-M |
| Parent Compound | CHEMBL199252 |
| Active Moiety | CHEMBL199252 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
6.06
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | Ki | = | 8.0 | nM | 8.1 | 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