Compound Detail
CHEMBL1391385
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Basic Information
| ChEMBL ID | CHEMBL1391385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUWQXYDMMUZDNB-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.37
ALogP
2
HBA
3
HBD
70.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.98
EC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.98 | 5.98 | 1056.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 5.71 | 5.71 | 1928.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.52 | 5.52 | 3006.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.2 | 5.2 | 6263.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.2 | 5.2 | 6363.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | IC50 | = | 1056.0 | nM | 5.98 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Trace amine-associated receptor 1 | EC50 | = | 1928.0 | nM | 5.71 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 3006.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 6263.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
| Trace amine-associated receptor 1 | IC50 | = | 6363.0 | nM | 5.2 | PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... | - |
Data from ChEMBL 36 via Core Engine