Compound Detail
CHEMBL5918984
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N#C/C(=C\C1CC1)C(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5918984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIHVZINNDDRKQU-NJZRLIGZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
648.8
MW (Da)
6.45
ALogP
6
HBA
3
HBD
131.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.86
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.86 | 6.245 | 13.7 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 7.34 | 7.34 | 45.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 13.7 | nM | 7.86 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Ki | = | 45.4 | nM | 7.34 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 23678.0 | nM | 4.63 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine