Compound Detail
CHEMBL255559
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Nc1nn(CCO)c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12
Basic Information
| ChEMBL ID | CHEMBL255559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRJDTLJIZXAPEA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
4.82
ALogP
8
HBA
3
HBD
118.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.91 | 5.91 | 1228.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 131.0 | nM | 6.88 | Inhibition of human recombinant Akt1 | 18296048 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 1228.0 | nM | 5.91 | Inhibition of human recombinant Akt2 | 18296048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine