Compound Detail
CHEMBL1410870
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Basic Information
| ChEMBL ID | CHEMBL1410870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFRPXZSATDEAOK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
6.22
ALogP
6
HBA
1
HBD
98.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.76 | 5.76 | 1723.0 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.63 | 5.63 | 2331.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 1723.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based bioche... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 2331.0 | nM | 5.63 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 24100.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 92000.0 | nM | 4.04 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine