Compound Detail
CHEMBL5316199
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Cc1ccc2c(n1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2
Basic Information
| ChEMBL ID | CHEMBL5316199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPOBJDYOKRGFIK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.64
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 9.07 | 9.07 | 0.8 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 0.85 | nM | 9.07 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 0.85 | nM | 9.07 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 11.0 | nM | 7.96 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 11.0 | nM | 7.96 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
Data from ChEMBL 36 via Core Engine