Compound Detail
CHEMBL1465511
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Basic Information
| ChEMBL ID | CHEMBL1465511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPCKFPCCBEILD-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
1.42
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.22
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.44 | 4.44 | 36400.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.22 | 4.22 | 59600.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.21 | 4.21 | 61600.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.12 | 4.12 | 76800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 7900.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 36400.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 59600.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 61600.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 76800.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine