Compound Detail
CHEMBL1366942
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Basic Information
| ChEMBL ID | CHEMBL1366942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNBGXCVAILAKLK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1616991 |
| Active Moiety | CHEMBL1616991 |
8
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
6.51
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.16
EC50 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.58 | 6.58 | 260.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.16 | 6.16 | 699.2 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 4.9375 | 2414.0 | 4 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.33 | 5.33 | 4641.5 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.72 | 4.72 | 19220.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.68 | 4.515 | 21000.0 | 2 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 4.07 | 4.07 | 85650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine