Compound Detail
CHEMBL1416853
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Basic Information
| ChEMBL ID | CHEMBL1416853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFGZBNKKXCKMO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
3.42
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.21 | 5.21 | 6175.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.2 | 5.2 | 6330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 660.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | EC50 | = | 6175.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 6330.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
Data from ChEMBL 36 via Core Engine