Compound Detail
CHEMBL5844502
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C=CC(=O)Nc1cc2c(cc1Cl)[nH]c(=O)n2N1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5844502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPGQZWGPWSOPRE-UHFFFAOYSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
632.1
MW (Da)
5.13
ALogP
7
HBA
3
HBD
119.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Ki 2 meas. best 8.7
Kd 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.15 | 8.045 | 0.7 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 8.7 | 7.78 | 2.0 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.7 | nM | 9.15 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Ki | = | 2.0 | nM | 8.7 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 89.0 | nM | 7.05 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 116.0 | nM | 6.94 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
| RAC-alpha serine/threonine-protein kinase | Ki | = | 139.0 | nM | 6.86 | Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F... | - |
Data from ChEMBL 36 via Core Engine