Compound Detail
CHEMBL5740597
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Cc1cccc2c1SCc1cccc(C)c1[C@@H]2N1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)ccn21
Basic Information
| ChEMBL ID | CHEMBL5740597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDACYCXMXSCODW-IIBYNOLFSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.87
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.42
IC50 3 meas. best 8.16
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3.78 | nM | 8.42 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | EC50 | = | 3.95 | nM | 8.4 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | EC50 | = | 6.24 | nM | 8.21 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | IC50 | = | 6.96 | nM | 8.16 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | IC50 | = | 19.1 | nM | 7.72 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | IC50 | = | 19.2 | nM | 7.72 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
Data from ChEMBL 36 via Core Engine