Compound Detail
CHEMBL3833368
RUCAPARIB CAMSYLATE 💊 Approved Drug
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💊 Approved Drug
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3833368 |
| Name | RUCAPARIB CAMSYLATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | INBJJAFXHQQSRW-STOWLHSFSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1173055 |
| Active Moiety | CHEMBL1173055 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
5
Known Names
6
Indications
1
Mechanisms
Molecular Properties
323.4
MW (Da)
2.98
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2016 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PARP 1, 2 and 3 inhibitor | INHIBITOR | PARP 1, 2 and 3 | ✓ | ✓ |
Indications
Ovarian Neoplasms Ovarian Neoplasms Ovarian Neoplasms Prostatic Neoplasms Prostatic Neoplasms Neoplasms
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Ki | = | 1.4 | nM | 8.85 | Binding affinity to PARP1 (unknown origin) assessed as inhibition constant | 37948954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37948954 | 10.1016/j.ejmech.2023.115925 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine