Compound Detail
CHEMBL5916590
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C=CC(=O)N(C)c1ccc(CCN(C)Cc2ccc(-c3nc4ccn(C)c(=O)c4cc3-c3ccccc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5916590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXEALJGVCINJSV-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
6.09
ALogP
5
HBA
0
HBD
58.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Kd 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.6 | 5.8533 | 249.0 | 3 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 6.3 | 6.3 | 498.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 249.0 | nM | 6.6 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 387.0 | nM | 6.41 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 498.0 | nM | 6.3 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 28103.0 | nM | 4.55 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine