Compound Detail
CHEMBL6063201
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COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4N3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL6063201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFAXDYLIDNLMDA-UCVVUYRJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
6.82
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 9.7 | 9.4 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 0.2 | nM | 9.7 | Inositol Phosphate Turnover (IP1) Assay: The assay was performed in 384-well for... | - |
| Free fatty acid receptor 1 | EC50 | = | 0.79 | nM | 9.1 | Inositol Phosphate Turnover (IP1) Assay: The assay was performed in 384-well for... | - |
Data from ChEMBL 36 via Core Engine