Compound Detail
CHEMBL5838111
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C=CC(=C)Nc1ccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5838111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSWDZAKVEIQVSL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
6.90
ALogP
5
HBA
3
HBD
90.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.67 | 6.605 | 21.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 21.3 | nM | 7.67 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 2895.0 | nM | 5.54 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine