Compound Detail
CHEMBL5095245
NESUPARIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL5095245 |
| Name | NESUPARIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GRPXLKXGJAGYSD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
4
Known Names
3
Indications
Molecular Properties
400.5
MW (Da)
2.48
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms Ovarian Neoplasms Carcinoma, Pancreatic Ductal
Activity Summary
IC50 3 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.63 | 8.63 | 2.4 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 1.48 | nM | 8.83 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 2.35 | nM | 8.63 | Inhibition Assay: The PARP-1 enzyme inhibitory activities of the compounds of th... | - |
| Non-receptor tyrosine-protein kinase TNK1 | IC50 | = | 5.07 | nM | 8.29 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
Data from ChEMBL 36 via Core Engine