Compound Detail
CHEMBL1708493
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Basic Information
| ChEMBL ID | CHEMBL1708493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDFMCUHFIYMYTO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
1.23
ALogP
8
HBA
6
HBD
122.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibrinogen beta chain CHEMBL2048 | IC50 | 5.04 | 5.04 | 9103.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibrinogen beta chain | IC50 | = | 9103.0 | nM | 5.04 | PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... | - |
| Matrix metalloproteinase-14 | IC50 | = | 38000.0 | nM | 4.42 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine