Compound Detail
CHEMBL255212
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N#Cc1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL255212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAUFULRKDWCITD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.77
ALogP
5
HBA
1
HBD
77.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.12 | 6.12 | 762.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 762.0 | nM | 6.12 | Inhibitory concentration against Akt1 kinase | 15686884 |
| Unchecked | IC50 | = | 3139.0 | nM | 5.5 | Inhibitory concentration against Akt2 kinase | 15686884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18294842 | 10.1016/j.bmcl.2007.12.040 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18294842 | 10.1016/j.bmcl.2007.12.040 | RAC-beta serine/threonine-protein kinase | 2 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | Unchecked | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-beta serine/threonine-protein kinase | 1 |
| 18294842 | 10.1016/j.bmcl.2007.12.040 | RAC-gamma serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine