Compound Detail
CHEMBL1401676
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Basic Information
| ChEMBL ID | CHEMBL1401676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWTAUHUKDHBIIV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.99
ALogP
4
HBA
3
HBD
98.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.44
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.44 | 6.44 | 365.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.03 | 6.03 | 937.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.07 | 4.07 | 84270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 365.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 937.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Leucine aminopeptidase | IC50 | = | 84270.0 | nM | 4.07 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine