Compound Detail
CHEMBL58248
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
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL58248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOWLRXYVDVTOJD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
4.97
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.42 | 7.2433 | 3.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 3.8 | nM | 8.42 | Antagonistic activity against human C-C chemokine receptor type 5. | 15055994 |
| C-C chemokine receptor type 5 | IC50 | = | 140.0 | nM | 6.85 | Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C ... | 15055994 |
| C-C chemokine receptor type 5 | IC50 | = | 350.0 | nM | 6.46 | Antagonistic activity against monkey C-C chemokine receptor type 5. | 15055994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055994 | 10.1021/jm031046g | C-C chemokine receptor type 5 | 4 |
Data from ChEMBL 36 via Core Engine