Compound Detail
CHEMBL1595774
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Basic Information
| ChEMBL ID | CHEMBL1595774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIAZQHAECZWGPF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
4.93
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.62 | 6.5933 | 242.0 | 3 |
| Nucleic Acid CHEMBL345 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 242.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 251.0 | nM | 6.6 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 275.0 | nM | 6.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Nucleic Acid | EC50 | = | 12600.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
Data from ChEMBL 36 via Core Engine