Compound Detail
CHEMBL5848446
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COc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)on1
Basic Information
| ChEMBL ID | CHEMBL5848446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRLPBXWROOXNQA-XQBPLPMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.13
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 13000.0 | nM | 4.89 | Surface Plasmon Resonance Assay: The surface plasmon resonance (SPR) experiments... | - |
Data from ChEMBL 36 via Core Engine