Compound Detail
CHEMBL473353
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
Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)COCC(F)(F)F)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL473353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DASFLNPMYWESNX-YSYXNDDBSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
4.56
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.28 | 7.28 | 52.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 61.6 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 52.8 | nM | 7.28 | Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells a... | 19185490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19185490 | 10.1016/j.bmcl.2009.01.008 | C-C chemokine receptor type 5 | 1 |
| 19185490 | 10.1016/j.bmcl.2009.01.008 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine