Compound Detail
CHEMBL6013292
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C=CC(=O)Nc1ccc(N2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL6013292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YELMBLQWRXBFNF-UHFFFAOYSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
5.70
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Kd 1 meas. best 6.31
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.18 | 6.32 | 66.7 | 3 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 7.17 | 7.17 | 67.1 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 6.31 | 6.31 | 488.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 66.7 | nM | 7.18 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Ki | = | 67.1 | nM | 7.17 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 190.0 | nM | 6.72 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 488.0 | nM | 6.31 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 8768.0 | nM | 5.06 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine