Compound Detail
CHEMBL1542128
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Basic Information
| ChEMBL ID | CHEMBL1542128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKRNYSMGLKKINP-ULKQKBTCSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.58
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.58 | 5.58 | 2651.1 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.5 | 5.5 | 3176.3 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.2 | 5.2 | 6340.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.23 | 59428.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 2651.11 | nM | 5.58 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3176.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| 72 kDa type IV collagenase | IC50 | = | 6340.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 13700.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 22800.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 59428.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
Data from ChEMBL 36 via Core Engine