Compound Detail
CHEMBL1329826
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Basic Information
| ChEMBL ID | CHEMBL1329826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEDDIBAIWPIIBD-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
-0.72
ALogP
11
HBA
8
HBD
201.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.04 | 6.0 | 92.3 | 3 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 6.58 | 6.25 | 262.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 92.27 | nM | 7.04 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 262.0 | nM | 6.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 1190.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 1742.0 | nM | 5.76 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 2710.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti... | - |
| Unchecked | IC50 | = | 6350.0 | nM | 5.2 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti... | - |
Data from ChEMBL 36 via Core Engine