Compound Detail
CHEMBL148905
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Basic Information
| ChEMBL ID | CHEMBL148905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBTRBCTYKUZFNI-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.68
ALogP
6
HBA
2
HBD
70.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Ki 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.52 | 5.52 | 3030.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.47 | 5.47 | 3420.0 | 1 |
| Glucagon receptor CHEMBL1985 | Ki | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 3030.0 | nM | 5.52 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 3420.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Glucagon receptor | Ki | = | 73000.0 | nM | 4.14 | Binding affinity towards cloned human glucagon receptor in BHK cells. | 9857085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857085 | 10.1021/jm9810304 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine