Compound Detail
CHEMBL1523955
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Basic Information
| ChEMBL ID | CHEMBL1523955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEUITMQIYLGTIX-AATRIKPKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
4.46
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.59
IC50 2 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.59 | 6.59 | 255.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.24 | 5.24 | 5769.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.17 | 4.165 | 67750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 255.0 | nM | 6.59 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 5769.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Protein skinhead-1 | IC50 | = | 67750.0 | nM | 4.17 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 69490.0 | nM | 4.16 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine