Compound Detail
CHEMBL1877709
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Basic Information
| ChEMBL ID | CHEMBL1877709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMKDSTGRMDFIOZ-QJOMJCCJSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
112.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.42 | 5.64 | 384.4 | 4 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 6.09 | 6.09 | 816.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 384.4 | nM | 6.42 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 816.81 | nM | 6.09 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Unchecked | IC50 | = | 996.0 | nM | 6.0 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 1401.0 | nM | 5.85 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 51629.0 | nM | 4.29 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Data from ChEMBL 36 via Core Engine