Compound Detail
CHEMBL4241066
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
Cc1cscc1[C@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCC(F)(F)CC1
Basic Information
| ChEMBL ID | CHEMBL4241066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYWBPHRPKOBRHM-AANQFLQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
6.32
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.43
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 8.1 | nM | 8.09 | Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expres... | 30234300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30234300 | 10.1021/acs.jmedchem.8b01077 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine