Compound Detail
CHEMBL1499077
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Basic Information
| ChEMBL ID | CHEMBL1499077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNBQNGDMZFETMP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1529804 |
| Active Moiety | CHEMBL1529804 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
3.56
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
EC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.7 | 5.11 | 2010.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.64 | 4.635 | 23100.0 | 2 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.32 | 4.32 | 47900.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.17 | 4.17 | 66900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | IC50 | = | 2010.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 23100.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 23400.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 30300.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 47900.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 66900.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine