Compound Detail
CHEMBL207545
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N[C@H](COc1cnc(C#Cc2ccccc2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL207545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDORTMHUPPZYPT-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
6.13
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of Akt1 at 5 uM ATP | 16603355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16603355 | 10.1016/j.bmcl.2006.03.041 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine