Compound Detail
CHEMBL5807413
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CC1CN(C(=O)c2ccc(-c3cccs3)cc2)Cc2nnc(-c3csc(-c4ccc(F)cc4)n3)n21
Basic Information
| ChEMBL ID | CHEMBL5807413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCDOPIUEUIZFIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
6.15
ALogP
7
HBA
0
HBD
63.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
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