Compound Detail
CHEMBL156174
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Basic Information
| ChEMBL ID | CHEMBL156174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIPMQCOMGHCENO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
0.15
ALogP
4
HBA
1
HBD
73.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.4675 | 1855.0 | 4 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.22 | 5.22 | 5986.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1855.0 | nM | 5.73 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 2144.0 | nM | 5.67 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 4940.0 | nM | 5.31 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 5986.0 | nM | 5.22 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Unchecked | IC50 | = | 6960.0 | nM | 5.16 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6993681 | 10.1021/jm00180a003 | Plasmodium berghei | 1 |
| 6993681 | 10.1021/jm00180a003 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine