Compound Detail
CHEMBL1340344
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Basic Information
| ChEMBL ID | CHEMBL1340344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCXZSLKNRQCDMA-GQCTYLIASA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
1.21
ALogP
4
HBA
1
HBD
68.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.54 | 5.1 | 2890.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.355 | 3991.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 2890.0 | nM | 5.54 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Unchecked | IC50 | = | 3991.0 | nM | 5.4 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 4883.0 | nM | 5.31 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 19800.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| SUMO-activating enzyme | IC50 | = | 21710.0 | nM | 4.66 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 32000.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine