Compound Detail
CHEMBL5945182
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O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2csc(Cn3cnc(Cl)c3Cl)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5945182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AORWIBTUJMGMAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.4
MW (Da)
5.42
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 3000.0 | nM | 5.52 | 3H-SB222200 Binding Competition Assay with Human NK-3 Receptor: The ability of t... | - |
Data from ChEMBL 36 via Core Engine