Compound Detail
CHEMBL6000225
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CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(-c2scnc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL6000225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMLMBVLXCGBBOO-HOUBMWHVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
4.38
ALogP
7
HBA
2
HBD
108.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 240.0 | nM | 6.62 | Surface Plasmon Resonance Assay: The surface plasmon resonance (SPR) experiments... | - |
Data from ChEMBL 36 via Core Engine