Compound Detail
CHEMBL1428640
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Basic Information
| ChEMBL ID | CHEMBL1428640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCYKHYUBEZWCKP-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.01
ALogP
8
HBA
3
HBD
97.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.79
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.79 | 4.79 | 16330.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.76 | 4.76 | 17290.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.67 | 4.67 | 21400.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.36 | 4.36 | 43300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 16330.0 | nM | 4.79 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 17290.0 | nM | 4.76 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 21400.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 43300.0 | nM | 4.36 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine