Compound Detail
CHEMBL3688364
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CN(C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1
Basic Information
| ChEMBL ID | CHEMBL3688364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPWDIJBYLGCHOL-SHTZXODSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.0
MW (Da)
4.48
ALogP
7
HBA
2
HBD
95.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 1.6 | nM | 8.8 | Kinase Assay: MELK activity was determined in the presence or absence of compoun... | - |
Data from ChEMBL 36 via Core Engine