Compound Detail
CHEMBL1466102
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Basic Information
| ChEMBL ID | CHEMBL1466102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQGKDVITOZEEJT-AATRIKPKSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.1
MW (Da)
3.99
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.32
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.32 | 6.32 | 482.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.66 | 5.1267 | 2190.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.44 | 5.2867 | 3641.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 482.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Protein skinhead-1 | IC50 | = | 2190.0 | nM | 5.66 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Unchecked | EC50 | = | 3641.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 4405.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 8723.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Protein skinhead-1 | IC50 | = | 12200.0 | nM | 4.91 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 15400.0 | nM | 4.81 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine