Compound Detail
CHEMBL1738935
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Basic Information
| ChEMBL ID | CHEMBL1738935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISWOCAVPQAAWOZ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
1.91
ALogP
8
HBA
4
HBD
147.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| CREB-binding protein CHEMBL5747 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Hepatocyte CHEMBL3140324 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human liver fructose-1,6-bisphosphatase | 21550236 |
| CREB-binding protein | IC50 | = | 270.0 | nM | 6.57 | Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay | 29155580 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of mouse liver fructose-1,6-bisphosphatase | 21550236 |
| Hepatocyte | EC50 | = | 12000.0 | nM | 4.92 | Reduction of glucose production in mouse hepatocytes after 6 hrs by glucose oxid... | 21550236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Fructose-1,6-bisphosphatase 1 | 2 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Hepatocyte | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | CREB-binding protein | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Bromodomain-containing protein 4 | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine