Compound Detail
CHEMBL1900376
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Basic Information
| ChEMBL ID | CHEMBL1900376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFQXXOKTNXKMSO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.12
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.76 | 5.76 | 1753.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 5.14 | 5.14 | 7244.4 | 2 |
| A549 CHEMBL392 | IC50 | 4.8 | 4.8 | 15917.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 1753.0 | nM | 5.76 | Antiproliferative activity against human HepG2 cells assessed as inhibition of c... | 39163776 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 7244.36 | nM | 5.14 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
| A549 | IC50 | = | 15917.0 | nM | 4.8 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 39163776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26183543 | 10.1016/j.bmc.2015.06.063 | Poly [ADP-ribose] polymerase tankyrase-2 | 2 |
| 39163776 | 10.1016/j.ejmech.2024.116766 | HepG2 | 1 |
| 39163776 | 10.1016/j.ejmech.2024.116766 | U-251 | 1 |
| 39163776 | 10.1016/j.ejmech.2024.116766 | PANC-1 | 1 |
| 39163776 | 10.1016/j.ejmech.2024.116766 | A549 | 1 |
| 39163776 | 10.1016/j.ejmech.2024.116766 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine