Compound Detail
CHEMBL1965132
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Basic Information
| ChEMBL ID | CHEMBL1965132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFGCKIFQWCXHIM-ZVHZXABRSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.12
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.53
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.53 | 5.3875 | 298.0 | 4 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.89 | 5.89 | 1299.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.1 | 5.1 | 7910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 298.0 | nM | 6.53 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1299.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 6440.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Kappa-type opioid receptor | IC50 | = | 7910.0 | nM | 5.1 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Unchecked | EC50 | = | 8877.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| Unchecked | EC50 | = | 16594.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
Data from ChEMBL 36 via Core Engine