Compound Detail
CHEMBL1333181
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Basic Information
| ChEMBL ID | CHEMBL1333181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOXBBIMCZQLBKU-YBEGLDIGSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | IC50 | 5.86 | 5.86 | 1370.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.03 | 5.03 | 9380.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.2 | 4.2 | 63100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1370.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 2180.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Unchecked | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 9380.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| 72 kDa type IV collagenase | IC50 | = | 42100.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 63100.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
Data from ChEMBL 36 via Core Engine