Compound Detail
CHEMBL1232381
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Basic Information
| ChEMBL ID | CHEMBL1232381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUTOLBMXDDTRRT-JGVFFNPUSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
1.09
ALogP
2
HBA
3
HBD
78.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.13
IC50 3 meas. best 8.0
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 8.0 | 8.0 | 10.1 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 6.83 | 6.83 | 149.1 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.86 | 5.86 | 1378.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.13 | 5.12 | 7406.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.92 | 4.92 | 11887.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 10.06 | nM | 8.0 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 149.12 | nM | 6.83 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 1378.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Insulin-degrading enzyme | EC50 | = | 7406.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Insulin-degrading enzyme | EC50 | = | 7797.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| HEK293 | EC50 | = | 11887.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine