Compound Detail
CHEMBL1486109
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Basic Information
| ChEMBL ID | CHEMBL1486109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GACWELRRCMKDCW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.81
ALogP
5
HBA
0
HBD
61.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
EC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.26 | 6.26 | 548.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.06 | 5.88 | 872.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.67 | 5.67 | 2150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 548.0 | nM | 6.26 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | IC50 | = | 872.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 880.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Unchecked | EC50 | = | 2150.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine