Compound Detail
CHEMBL2000877
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Basic Information
| ChEMBL ID | CHEMBL2000877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJGTWVUBLLWFFY-FOKLQQMPSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.86
ALogP
7
HBA
2
HBD
83.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.86 | 5.305 | 1380.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.41 | 5.41 | 3910.7 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.16 | 5.16 | 6880.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.26 | 4.26 | 55400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1380.0 | nM | 5.86 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3910.65 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 6880.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| SUMO-activating enzyme | IC50 | = | 17560.0 | nM | 4.75 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Prothrombin | IC50 | = | 55400.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine