Compound Detail
CHEMBL4244470
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)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)nc1
Basic Information
| ChEMBL ID | CHEMBL4244470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMAZFLYNXDWFFF-KIHHCIJBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
5.49
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.46
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 6.6 | 6.6 | 251.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 251.6 | nM | 6.6 | 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