Compound Detail
CHEMBL5184620
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CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)cc4)cc23)c1F
Basic Information
| ChEMBL ID | CHEMBL5184620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBCAVOCJJAQHHT-FGUOTCRGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1010.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C CHEMBL3301400 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.8 | nM | 8.17 | Inhibition of BRAF mutant (unknown origin) | 34656901 |
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | IC50 | = | 6.8 | nM | 8.17 | Inhibition of 6xHis-tagged VHL (1 to 213 residues)/Elongin B/Elogin C (unknown o... | 38788299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35814929 | 10.1039/d2md00064d | von Hippel-Lindau disease tumor suppressor/BRAF | 2 |
| 35814929 | 10.1039/d2md00064d | Unchecked | 2 |
| 35814929 | 10.1039/d2md00064d | No relevant target | 1 |
| 35814929 | 10.1039/d2md00064d | ADMET | 1 |
| 34656901 | 10.1016/j.ejmech.2021.113906 | Unchecked | 1 |
| 34656901 | 10.1016/j.ejmech.2021.113906 | Serine/threonine-protein kinase B-raf | 1 |
| 38788299 | 10.1016/j.ejmech.2024.116520 | Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | 1 |
Data from ChEMBL 36 via Core Engine