Compound Detail
CHEMBL1344582
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Basic Information
| ChEMBL ID | CHEMBL1344582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZRBCJDNOUFWJB-AATRIKPKSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.83
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.3
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.96 | 5.96 | 1086.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.37 | 5.37 | 4234.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.3 | 4.8333 | 5040.0 | 3 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 4.67 | 4.67 | 21420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 1086.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 4234.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Protein skinhead-1 | IC50 | = | 5040.0 | nM | 5.3 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 8440.0 | nM | 5.07 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 21420.0 | nM | 4.67 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
| Protein skinhead-1 | IC50 | = | 73400.0 | nM | 4.13 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine