Compound Detail
CHEMBL1307435
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Basic Information
| ChEMBL ID | CHEMBL1307435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYVJNOLAQFWVNH-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.74
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.12
EC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.94 | 5.23 | 1148.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.12 | 5.12 | 7530.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.25 | 4.25 | 56600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1148.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 7530.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Unchecked | EC50 | = | 30371.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 53000.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 56600.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine