Compound Detail
CHEMBL5592984
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CCc1cccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@@H]5CCCN5CC5CCN(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)nc4c3F)c12
Basic Information
| ChEMBL ID | CHEMBL5592984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGJXZASEOLBDEU-ZBBCBEKFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1124.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.09 | 6.38 | 80.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 80.4 | nM | 7.09 | Competitive binding affinity to His-tagged VHL/Elongin C/Elongin B/KRAS G12D mut... | 38197882 |
| Unchecked | IC50 | = | 2159.0 | nM | 5.67 | Competitive binding affinity to His-tagged VHL/Elongin C/Elongin B (unknown orig... | 38197882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38197882 | 10.1021/acs.jmedchem.3c01622 | Unchecked | 3 |
| 38197882 | 10.1021/acs.jmedchem.3c01622 | von Hippel-Lindau disease tumor suppressor/KRAS | 1 |
Data from ChEMBL 36 via Core Engine