Compound Detail
CHEMBL1419387
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Basic Information
| ChEMBL ID | CHEMBL1419387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKJQKKZNZHGPAD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.44
ALogP
7
HBA
1
HBD
86.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.63
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase BAP1 CHEMBL1293314 | IC50 | 4.86 | 4.86 | 13926.8 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.63 | 4.63 | 23330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase BAP1 | IC50 | = | 13926.8 | nM | 4.86 | PUBCHEM_BIOASSAY: BAP1 Enzyme inhibitors Dose Response Confirmation. (Class of a... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 23330.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
Data from ChEMBL 36 via Core Engine