Compound Detail
CHEMBL1414703
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CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1
Basic Information
| ChEMBL ID | CHEMBL1414703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSNXHOGGVFKKQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
4.78
ALogP
9
HBA
1
HBD
113.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Perilipin-1/ABHD5 CHEMBL3883313 | IC50 | 5.52 | 5.52 | 2992.0 | 1 |
| 1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 CHEMBL3885501 | IC50 | 5.4 | 5.4 | 3942.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Perilipin-1/ABHD5 | IC50 | = | 2992.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Luminescence-based biochemical high throughput dose response a... | - |
| 1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 | IC50 | = | 3942.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine