Compound Detail
CHEMBL388311
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N[C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL388311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWMPVMMGSHXANZ-RWFYVVHNSA-N |
1
Targets
3
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.52
ALogP
4
HBA
3
HBD
93.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.22 | 8.51 | 0.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | ng.hr.mL-1 | Mus musculus |
| F | - | % | Mus musculus |
| T1/2 | 0.5 | 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 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Akt | 19497644 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human Akt1 | 17523610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17523610 | 10.1021/jm0701019 | Mus musculus | 3 |
| 17523610 | 10.1021/jm0701019 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17523610 | 10.1021/jm0701019 | Unchecked | 1 |
| 17523610 | 10.1021/jm0701019 | Canis familiaris | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine