Compound Detail
CHEMBL3289398
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Basic Information
| ChEMBL ID | CHEMBL3289398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXYDVWIAGDJBEC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.29
ALogP
5
HBA
1
HBD
66.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-directed RNA polymerase I subunit RPA1 CHEMBL3286067 | IC50 | 7.3 | 6.89 | 50.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| MUS81-ECE1 CHEMBL5465380 | IC50 | 5.48 | 5.48 | 3330.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.95 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-directed RNA polymerase I subunit RPA1 | IC50 | = | 50.0 | nM | 7.3 | Induction of RNA polymerase-1 RPA194 subunit degradation in human U2OS cells aft... | 24847734 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of RNA polymerase-1 in human U2OS cells assessed as decrease in nucle... | 24847734 |
| DNA-directed RNA polymerase I subunit RPA1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation mea... | 35450366 |
| HeLa | IC50 | = | 460.0 | nM | 6.34 | Cytotoxicity against human HeLa cells | 34124673 |
| MUS81-ECE1 | IC50 | = | 3330.0 | nM | 5.48 | Inhibition of human GST-tagged MUS81-ECE1 expressed in Escherichia coli BL21(DE3... | 37352577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24847734 | 10.1021/jm5004842 | Unchecked | 3 |
| 24847734 | 10.1021/jm5004842 | DNA-directed RNA polymerase I subunit RPA1 | 2 |
| 35450366 | 10.1021/acsmedchemlett.1c00660 | DNA-directed RNA polymerase I subunit RPA1 | 2 |
| 35450366 | 10.1021/acsmedchemlett.1c00660 | Unchecked | 2 |
| 24847734 | 10.1021/jm5004842 | U2OS | 1 |
| 24847734 | 10.1021/jm5004842 | Liver microsome | 1 |
| 34124673 | 10.1039/d0md00428f | HeLa | 1 |
| 37352577 | 10.1016/j.bmc.2023.117383 | MUS81-ECE1 | 1 |
Data from ChEMBL 36 via Core Engine