Compound Detail
CHEMBL1449173
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Basic Information
| ChEMBL ID | CHEMBL1449173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRZATJCSJOXHBT-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.17
EC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.38 | 5.38 | 4216.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.17 | 4.8367 | 6750.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 4.57 | 4.57 | 27111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 4216.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | IC50 | = | 6750.0 | nM | 5.17 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 14400.0 | nM | 4.84 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Unchecked | EC50 | = | 27111.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 31400.0 | nM | 4.5 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine