Compound Detail
CHEMBL1493010
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Basic Information
| ChEMBL ID | CHEMBL1493010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBKMULMXGAODRE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.77
ALogP
9
HBA
3
HBD
119.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.31 | 6.31 | 485.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.25 | 3645.0 | 2 |
| RNA-editing ligase 1, mitochondrial CHEMBL4105928 | IC50 | 4.45 | 4.45 | 35544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 485.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 3645.0 | nM | 5.44 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 8629.0 | nM | 5.06 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| RNA-editing ligase 1, mitochondrial | IC50 | = | 35544.0 | nM | 4.45 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine