Compound Detail
CHEMBL1422807
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Basic Information
| ChEMBL ID | CHEMBL1422807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGMDZTMNDOBGFY-ATVHPVEESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.85
ALogP
7
HBA
2
HBD
88.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3070.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.03 | 5.03 | 9310.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.4 | 4.4 | 39700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3070.0 | nM | 5.51 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| 72 kDa type IV collagenase | IC50 | = | 9310.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 27900.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 39700.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine