Compound Detail
CHEMBL1303333
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Basic Information
| ChEMBL ID | CHEMBL1303333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSBFTODMEZTVBC-WNQIWMROSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.98
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2502.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.38 | 5.38 | 4135.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.15 | 4.15 | 71200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2502.0 | nM | 5.6 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 4135.0 | nM | 5.38 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Prothrombin | IC50 | = | 19600.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 28200.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| 72 kDa type IV collagenase | IC50 | = | 71200.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine