Compound Detail
CHEMBL4113017
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CO[C@H](C)C(=O)N1Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CC1C
Basic Information
| ChEMBL ID | CHEMBL4113017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNIJPVCRGBRADO-YSSOQSIOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
3.79
ALogP
7
HBA
1
HBD
79.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 6 CHEMBL3714130 | IC50 | 10.73 | 10.73 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 6 | IC50 | = | 0.0185 | nM | 10.73 | GPR6 In Vitro Assay (A.1): This cell based assay measures the ability of compoun... | - |
Data from ChEMBL 36 via Core Engine