Compound Detail
CHEMBL3199267
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Basic Information
| ChEMBL ID | CHEMBL3199267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAOSRUZSHSOQIL-FBCYGCLPSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.31
ALogP
5
HBA
2
HBD
78.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.18
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 5.68 | 5.68 | 2094.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 5.18 | 5.18 | 6620.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.87 | 4.87 | 13400.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.75 | 4.75 | 17700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 0 group B member 1 | IC50 | = | 2094.0 | nM | 5.68 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 6620.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a s... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 13400.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 17700.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
Data from ChEMBL 36 via Core Engine