Compound Detail
CHEMBL5783937
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CS(=O)(=O)Nc1ccc(-c2nc(-c3nnc4n3CCN(C(=O)c3ccc(-c5cccs5)cc3)C4)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL5783937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAEKWGOTFXHXND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
4.82
ALogP
9
HBA
1
HBD
110.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 750.0 | nM | 6.12 | 3H-SB222200 Binding Competition Assay with Human NK-3 Receptor: The ability of t... | - |
Data from ChEMBL 36 via Core Engine