Compound Detail
CHEMBL1392507
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Basic Information
| ChEMBL ID | CHEMBL1392507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTVQDPXRPMARHH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.57 | 4.555 | 26700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15500.0 | nM | 4.81 | PubChem BioAssay. SAR confirmation of uHTS hits for a small molecule inhibitors ... | - |
| Matrix metalloproteinase-14 | IC50 | = | 26700.0 | nM | 4.57 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Matrix metalloproteinase-14 | IC50 | = | 29100.0 | nM | 4.54 | PubChem BioAssay. SAR confirmation of uHTS hits for a small molecule inhibitors ... | - |
Data from ChEMBL 36 via Core Engine