Compound Detail
CHEMBL6931
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Basic Information
| ChEMBL ID | CHEMBL6931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQMVHMMHNNPHEW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.48
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.1
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.1 | 5.095 | 8000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory concentration of the Compound was tested against LTD4 induced contrac... | 1560434 |
| Free fatty acid receptor 1 | EC50 | = | 8000.0 | nM | 5.1 | Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay | 18993064 |
| Free fatty acid receptor 1 | EC50 | = | 8128.31 | nM | 5.09 | Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay | 18993064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1560434 | 10.1021/jm00085a006 | Cavia porcellus | 5 |
| 18993064 | 10.1016/j.bmcl.2008.10.085 | Free fatty acid receptor 1 | 5 |
| 27584935 | 10.1021/acs.jnatprod.6b00224 | Molecular identity unknown | 3 |
| 27584935 | 10.1021/acs.jnatprod.6b00224 | Unchecked | 2 |
| 27584935 | 10.1021/acs.jnatprod.6b00224 | NON-PROTEIN TARGET | 2 |
| 37839345 | 10.1016/j.ejmech.2023.115823 | Staphylococcus aureus | 2 |
| 18993064 | 10.1016/j.bmcl.2008.10.085 | Unchecked | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | ACHN | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | PANC-1 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | Calu-1 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | NCI-H460 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | HCT-116 | 1 |
| 27584935 | 10.1021/acs.jnatprod.6b00224 | Staphylococcus aureus | 1 |
| 27584935 | 10.1021/acs.jnatprod.6b00224 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine