Compound Detail
CHEMBL5844147
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Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=S)c21
Basic Information
| ChEMBL ID | CHEMBL5844147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLQYCVKVDILAKB-GXTWGEPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
3.83
ALogP
9
HBA
0
HBD
83.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.52 | 8.45 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 3.0 | nM | 8.52 | FLIPR Assay (90 minutes): The IC50 (effective concentration) of compounds on the... | - |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 4.16 | nM | 8.38 | FLIPR Assay (15 minutes): The IC50 (effective concentration) of compounds on the... | - |
Data from ChEMBL 36 via Core Engine