Compound Detail
CHEMBL1733422
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Basic Information
| ChEMBL ID | CHEMBL1733422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPJGLEYOEDMWDB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.07
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.75 | 1493.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.32 | 5.32 | 4777.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL3964 | IC50 | 4.55 | 4.55 | 28304.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1493.0 | nM | 5.83 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 2163.0 | nM | 5.67 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 4777.0 | nM | 5.32 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 28304.0 | nM | 4.55 | PubChem BioAssay. Counterscreen for inhibitors of phospholipase C isozymes (PLC-... | - |
Data from ChEMBL 36 via Core Engine