Compound Detail
CHEMBL1824673
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Basic Information
| ChEMBL ID | CHEMBL1824673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWAXXHRQPWGNTG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
5
PK Parameters
11
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.20
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol regulatory element-binding protein 2 CHEMBL1795166 | IC50 | 6.16 | 6.08 | 700.0 | 2 |
| Sterol regulatory element-binding protein 1 CHEMBL4630818 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 137000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 28.84 | mL.min-1.g-1 | Mus musculus |
| CL | 4.3 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.01 | - | Mus musculus |
| T1/2 | 0.74 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol regulatory element-binding protein 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of SREBP2 activation expressed in CHO-K1 cells co-transfected with pS... | 21561152 |
| Sterol regulatory element-binding protein 1 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of SREBP (unknown origin) expressed in CHO-K1 cells by luciferase rep... | 33899473 |
| Sterol regulatory element-binding protein 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of SREBP2 activation expressed in CHO-K1 cells by densitometric analy... | 21561152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561152 | 10.1021/jm200304y | Sterol regulatory element-binding protein 2 | 14 |
| 24967731 | 10.1021/jm500833f | Mycobacterium tuberculosis | 14 |
| 21561152 | 10.1021/jm200304y | Mus musculus | 7 |
| 21561152 | 10.1021/jm200304y | Hepatocyte | 3 |
| 21561152 | 10.1021/jm200304y | No relevant target | 2 |
| 21561152 | 10.1021/jm200304y | ADMET | 2 |
| 24967731 | 10.1021/jm500833f | No relevant target | 1 |
| 24967731 | 10.1021/jm500833f | Plasma | 1 |
| 24967731 | 10.1021/jm500833f | Liver | 1 |
| 24967731 | 10.1021/jm500833f | Liver microsome | 1 |
| 33899473 | 10.1021/acs.jmedchem.0c02179 | Sterol regulatory element-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine