Compound Detail
CHEMBL478754
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Basic Information
| ChEMBL ID | CHEMBL478754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWBWQWUHVXPNC-CQSZACIVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.18
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.02
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.02 | 6.02 | 952.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.11 | 5.11 | 7828.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 952.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 7828.0 | nM | 5.11 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254346 | 10.1021/np50099a005 | NON-PROTEIN TARGET | 5 |
| 8254346 | 10.1021/np50099a005 | Plasmodium falciparum | 2 |
| 8254346 | 10.1021/np50099a005 | Unchecked | 2 |
| 8254346 | 10.1021/np50099a005 | HT-1080 | 1 |
| 8254346 | 10.1021/np50099a005 | SK-MEL-2 | 1 |
| 8254346 | 10.1021/np50099a005 | KB | 1 |
| 8254346 | 10.1021/np50099a005 | P388 | 1 |
| 8254346 | 10.1021/np50099a005 | A-431 | 1 |
| 8254346 | 10.1021/np50099a005 | LNCaP | 1 |
| 8254346 | 10.1021/np50099a005 | ZR-75-1 | 1 |
Data from ChEMBL 36 via Core Engine