Compound Detail
CHEMBL138026
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O=S(=O)(O)OC(CSc1[nH]cnc2ncnc1-2)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL138026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQMZVOCMPDOOFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
3.27
ALogP
9
HBA
2
HBD
124.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 390.0 | nM | 6.41 | Relative change in CF was determined by calculating the effective concentration ... | 1335073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1335073 | 10.1021/jm00102a001 | Canis familiaris | 5 |
| 1335073 | 10.1021/jm00102a001 | NON-PROTEIN TARGET | 1 |
| 1335073 | 10.1021/jm00102a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine