Compound Detail
CHEMBL191015
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Basic Information
| ChEMBL ID | CHEMBL191015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBIZYSIIJRBDSE-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.77
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
EC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.64 | 5.64 | 2287.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.4 | 5.4 | 3977.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.97 | 4.87 | 10700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 2287.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Luciferin 4-monooxygenase | EC50 | = | 3977.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Protein skinhead-1 | IC50 | = | 10700.0 | nM | 4.97 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 12400.0 | nM | 4.91 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 18800.0 | nM | 4.73 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078840 | 10.1021/jm050292k | Caspase-3 | 3 |
Data from ChEMBL 36 via Core Engine