Compound Detail
CHEMBL1735454
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Basic Information
| ChEMBL ID | CHEMBL1735454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBUVPRAKRZKRZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.62
ALogP
7
HBA
4
HBD
139.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.0933 | 1568.0 | 3 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1568.0 | nM | 5.8 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 10832.0 | nM | 4.96 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Matrix metalloproteinase-14 | IC50 | = | 20500.0 | nM | 4.69 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Unchecked | IC50 | = | 30500.0 | nM | 4.52 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine