Compound Detail
CHEMBL1325260
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Basic Information
| ChEMBL ID | CHEMBL1325260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEHJFOPARPPIAW-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.87
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.89
IC50 3 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.13 | 4.6967 | 7410.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 4.89 | 4.7333 | 12945.0 | 3 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 4.88 | 4.88 | 13160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7410.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | EC50 | = | 12945.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Free fatty acid receptor 1 | EC50 | = | 13160.0 | nM | 4.88 | Agonist activity at human GPR40 stably expressed in CHO cells assessed as increa... | 38039791 |
| Unchecked | EC50 | = | 16924.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 24100.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | EC50 | = | 28543.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 45200.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38574638 | 10.1016/j.ejmech.2024.116358 | Fatty acid-binding protein, liver | 3 |
| 38039791 | 10.1016/j.ejmech.2023.115990 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine