Compound Detail
CHEMBL1545873
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Basic Information
| ChEMBL ID | CHEMBL1545873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFCCKOHKVLGFGL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
5.00
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.19
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.19 | 5.17 | 6397.0 | 2 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6397.0 | nM | 5.19 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 7124.0 | nM | 5.15 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Matrix metalloproteinase-14 | IC50 | = | 24400.0 | nM | 4.61 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine