Compound Detail
CHEMBL2322965
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Basic Information
| ChEMBL ID | CHEMBL2322965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDGZWPASWGZCTM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
2.54
ALogP
7
HBA
2
HBD
103.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 4.96 | 4.96 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 11000.0 | nM | 4.96 | Gel-Based Assay: Tdp1 reactions were performed as recently described. Briefly, a... | - |
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 11000.0 | nM | 4.96 | Gel-based Assay : A 5′-[32P]-labeled single-stranded DNA oligonucleotide contain... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23472886 | 10.1021/jm400026k | Retinoic acid receptor RXR-alpha | 4 |
| 23472886 | 10.1021/jm400026k | Vitamin D3 receptor | 2 |
| 23472886 | 10.1021/jm400026k | COS-1 | 1 |
Data from ChEMBL 36 via Core Engine