Compound Detail
CHEMBL1314787
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Basic Information
| ChEMBL ID | CHEMBL1314787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBSAJKJWCIAYFW-ZROIWOOFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.91
ALogP
7
HBA
3
HBD
120.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 4.9567 | 1917.0 | 3 |
| No relevant target CHEMBL2362975 | IC50 | 5.14 | 5.14 | 7286.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 1917.0 | nM | 5.72 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 7286.0 | nM | 5.14 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Unchecked | IC50 | = | 17245.0 | nM | 4.76 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 19600.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Unchecked | IC50 | = | 40944.0 | nM | 4.39 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Data from ChEMBL 36 via Core Engine