Compound Detail
CHEMBL1595336
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Basic Information
| ChEMBL ID | CHEMBL1595336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZAAPRANCMOVML-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.41
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
EC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.11 | 5.11 | 7770.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 4.93 | 4.93 | 11811.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.83 | 4.83 | 14860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 7770.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Melanocortin receptor 4 | IC50 | = | 11811.0 | nM | 4.93 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Unchecked | IC50 | = | 14860.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Counterscreen for biased ligands (antagonists) of the melanoco... | - |
Data from ChEMBL 36 via Core Engine