Compound Detail
CHEMBL5768674
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C=CC(=O)Nc1ccc(CN(C)C2CCN(Cc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5768674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCMMCXGLFGVFTL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
6.48
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Kd 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.83 | 6.72 | 147.0 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 5.73 | 5.73 | 1847.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 147.0 | nM | 6.83 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 243.0 | nM | 6.61 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 1847.0 | nM | 5.73 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine