Compound Detail
CHEMBL1372823
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Basic Information
| ChEMBL ID | CHEMBL1372823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXYJBKOCIMSSPX-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
1.85
ALogP
4
HBA
1
HBD
79.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.9
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 6.9 | 6.81 | 126.0 | 3 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.69 | 5.59 | 2040.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 126.0 | nM | 6.9 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 169.0 | nM | 6.77 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 172.0 | nM | 6.76 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 2040.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 3250.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine