Compound Detail
CHEMBL1077990
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Basic Information
| ChEMBL ID | CHEMBL1077990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJODSFZNKNHKML-SNAWJCMRSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.84
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.17
EC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 6.17 | 6.17 | 670.0 | 1 |
| Fatty acid-binding protein 5 CHEMBL3674 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
| Fatty acid-binding protein, intestinal CHEMBL4879 | Ki | 5.18 | 5.18 | 6570.0 | 1 |
| Fatty acid-binding protein, liver CHEMBL5421 | Ki | 5.09 | 5.09 | 8170.0 | 1 |
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 5.04 | 5.04 | 9070.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 670.0 | nM | 6.17 | Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from AFABP exp... | 19754198 |
| Fatty acid-binding protein 5 | Ki | = | 3400.0 | nM | 5.47 | Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from EFABP exp... | 19754198 |
| Fatty acid-binding protein, intestinal | Ki | = | 6570.0 | nM | 5.18 | Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from IFABP exp... | 19754198 |
| Fatty acid-binding protein, liver | Ki | = | 8170.0 | nM | 5.09 | Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from LFABP exp... | 19754198 |
| Fatty acid-binding protein, heart | Ki | = | 9070.0 | nM | 5.04 | Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from HFABP exp... | 19754198 |
| Protein RecA | EC50 | = | 15200.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19754198 | 10.1021/jm900720m | Fatty acid-binding protein, adipocyte | 7 |
| 19754198 | 10.1021/jm900720m | Peroxisome proliferator-activated receptor gamma | 4 |
| 19754198 | 10.1021/jm900720m | NON-PROTEIN TARGET | 3 |
| 19754198 | 10.1021/jm900720m | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 19754198 | 10.1021/jm900720m | Fatty acid-binding protein 5 | 1 |
| 19754198 | 10.1021/jm900720m | Fatty acid-binding protein, heart | 1 |
| 19754198 | 10.1021/jm900720m | Fatty acid-binding protein, intestinal | 1 |
| 19754198 | 10.1021/jm900720m | Fatty acid-binding protein, liver | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine