Compound Detail
CHEMBL1575767
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Basic Information
| ChEMBL ID | CHEMBL1575767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUMNCGLQAXIZJU-MMPACVFLSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.73
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.02 | 6.02 | 947.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 4.995 | 2744.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.13 | 5.13 | 7330.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.12 | 4.12 | 75300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 947.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 2744.0 | nM | 5.56 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 7330.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Unchecked | IC50 | = | 37106.0 | nM | 4.43 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Prothrombin | IC50 | = | 75300.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine