Compound Detail
CHEMBL4446354
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Basic Information
| ChEMBL ID | CHEMBL4446354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAZUDPJIKJRORR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.50
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 4.29 | 4.29 | 51600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4745.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 230000.0 | nM | Mus musculus |
| T1/2 | 13.0 | hr | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | Kd | = | 51600.0 | nM | 4.29 | Binding affinity to AKT PH-domain (unknown origin) at 0.01 to 50 uM by SPR spect... | - |
Data from ChEMBL 36 via Core Engine