Compound Detail
CHEMBL6042460
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O=S(=O)(Nc1ccncn1)c1cc(Cl)c(O[C@H]2CC(F)(F)CC[C@@H]2c2cn[nH]c2)cc1F
Basic Information
| ChEMBL ID | CHEMBL6042460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSAAGZJHRXQXFD-WBMJQRKESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.9
MW (Da)
4.14
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.77 | 7.77 | 17.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Electrophysiological Assay: Current recording was obtained by an automated patch... | - |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
Data from ChEMBL 36 via Core Engine