Compound Detail
CHEMBL5405990
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Cc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5405990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTAPHNUQQSHJDU-RZUBCFFCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
3.04
ALogP
6
HBA
3
HBD
111.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C CHEMBL3301400 | Kd | 7.39 | 7.17 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | Kd | = | 41.0 | nM | 7.39 | Binding affinity to biotinylated VHL/Elongin B/Elongin C (unknown origin) immobi... | 37708384 |
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | Kd | = | 112.0 | nM | 6.95 | Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues)/Elongin B/El... | 37708384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708384 | 10.1021/acs.jmedchem.3c00434 | Hypoxia-inducible factor 1-alpha | 4 |
| 37708384 | 10.1021/acs.jmedchem.3c00434 | Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | 3 |
| 37708384 | 10.1021/acs.jmedchem.3c00434 | No relevant target | 1 |
| 37708384 | 10.1021/acs.jmedchem.3c00434 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine