Compound Detail
CHEMBL5811722
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O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2nc(-c3ccc(F)cc3)no2)C1
Basic Information
| ChEMBL ID | CHEMBL5811722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUFZSKPBEKVAOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
4.60
ALogP
7
HBA
0
HBD
89.9
PSA (Ų)
0.37
QED
0
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