Compound Detail
CHEMBL5843900
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
CC[C@@H](N)c1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O
Basic Information
| ChEMBL ID | CHEMBL5843900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDXXELAFEZBSNE-MAUKXSAKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.66
ALogP
8
HBA
1
HBD
106.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 7.27 | 7.27 | 53.5 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 53.5 | nM | 7.27 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
| Serine/threonine-protein kinase D2 | IC50 | = | 251.0 | nM | 6.6 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
Data from ChEMBL 36 via Core Engine