Compound Detail
CHEMBL5779401
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CSc1c(-c2ccc(C)s2)c(-c2ccccc2)nn1C[C@H]1CC[C@@H](COCC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL5779401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMROZIDRJCRQLR-KDURUIRLSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
6.22
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.8
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | EC50 | 7.8 | 7.8 | 16.0 | 2 |
| Major prion protein CHEMBL4869 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | EC50 | = | 16.0 | nM | 7.8 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay for Direct cAMP Measurement:... | - |
| Prostacyclin receptor | EC50 | = | 16.0 | nM | 7.8 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay: Principle of the assay: The... | - |
| Major prion protein | IC50 | = | 28.0 | nM | 7.55 | Human Platelet Aggregation Inhibition Test: Blood collected from healthy human v... | - |
Data from ChEMBL 36 via Core Engine