Compound Detail
CHEMBL4528101
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CC(C)n1nc(C(F)F)cc1C(=O)Nc1ccc([C@H]2[C@@H](O)CCCc3cncn32)c(-c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL4528101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANNKHJQLDMGQFM-UIOOFZCWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
5.80
ALogP
6
HBA
2
HBD
85.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COP9 signalosome complex subunit 5 CHEMBL4105809 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COP9 signalosome complex subunit 5 | IC50 | = | 5.8 | nM | 8.24 | Inhibition of CSN5 (unknown origin) using fluorescence-labeled CRL substrate by ... | 31682427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31682427 | 10.1021/acs.jmedchem.9b01138 | COP9 signalosome complex subunit 5 | 1 |
Data from ChEMBL 36 via Core Engine