Compound Detail
CHEMBL3927473
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CC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CCN(C(=O)N(C)C)C2
Basic Information
| ChEMBL ID | CHEMBL3927473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LACYCIZBHVBIAT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.0
MW (Da)
4.23
ALogP
6
HBA
1
HBD
81.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 6 CHEMBL3714130 | IC50 | 10.49 | 10.49 | 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 | = | 0.0327 | nM | 10.49 | GPR6 In Vitro Assay (A.1): This cell based assay measures the ability of compoun... | - |
Data from ChEMBL 36 via Core Engine