Compound Detail
CHEMBL1215819
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1215819 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HHEJEJNXLAWPSZ-XNZAUPJISA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2722.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair protein RAD51 homolog 1 CHEMBL2034807 | Ki | 6.12 | 6.12 | 750.0 | 1 |
| DNA repair protein RAD51 homolog 1 CHEMBL2034807 | IC50 | 5.98 | 5.9 | 1050.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair protein RAD51 homolog 1 | Ki | = | 750.0 | nM | 6.12 | Inhibition of human RAD51 assessed as concentration required for half dissociati... | 20684611 |
| DNA repair protein RAD51 homolog 1 | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of human RAD51 assessed as dissociation of protein/single-stranded ol... | 20684611 |
| DNA repair protein RAD51 homolog 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human RAD51 assessed as dissociation of protein/single-stranded po... | 20684611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684611 | 10.1021/jm1002974 | DNA repair protein RAD51 homolog 1 | 6 |
Data from ChEMBL 36 via Core Engine