Compound Detail
CHEMBL3701775
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCONC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2
Basic Information
| ChEMBL ID | CHEMBL3701775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTLHCOXJAPDRRG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.61
ALogP
7
HBA
3
HBD
111.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 9.4 | 9.4 | 0.4 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.74 | 8.74 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 0.4 | nM | 9.4 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 0.4 | nM | 9.4 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.8 | nM | 8.74 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.8 | nM | 8.74 | Kinase Inhibition Assay: Preparation of AKT1 and AKT2 and measurement of in vitr... | - |
Data from ChEMBL 36 via Core Engine