Compound Detail
CHEMBL3912759
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Basic Information
| ChEMBL ID | CHEMBL3912759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSDWSTAYENJABB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
1.70
ALogP
10
HBA
2
HBD
162.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.2
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 5.2 | 5.2 | 6270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1000.0 | nM | 6.0 | Cellular Assay: Inhibition of AKT was measured by Western blots using specific a... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 6270.0 | nM | 5.2 | SPR Competitive Binding Assay: SPR interaction analyses were performed with a Bi... | - |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 6270.0 | nM | 5.2 | Binding affinity to AKT1 (unknown origin) by surface plasmon resonance assay | - |
Data from ChEMBL 36 via Core Engine