Compound Detail
CHEMBL5852849
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CCSc1c(-c2cccc(OC)c2F)c(-c2ccccc2)nn1C[C@H]1CC[C@@H](COCC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL5852849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWHCRCWTCOAPSA-BGYRXZFFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
6.38
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | EC50 | 8.15 | 8.15 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | EC50 | = | 7.0 | nM | 8.15 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay for Direct cAMP Measurement:... | - |
| Prostacyclin receptor | EC50 | = | 7.0 | nM | 8.15 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay: Principle of the assay: The... | - |
Data from ChEMBL 36 via Core Engine