Compound Detail
CHEMBL5899459
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C[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CN1Cc1ccc(F)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5899459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRXDZKXQDVLVEO-OXJNMPFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.1
MW (Da)
4.61
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
Data from ChEMBL 36 via Core Engine