Compound Detail
CHEMBL6031186
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)(C)NCCNc1ccc(-c2cnn(C(F)F)c2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
Basic Information
| ChEMBL ID | CHEMBL6031186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJISNYJFCRFKC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
4.54
ALogP
9
HBA
3
HBD
112.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.4 | nM | 9.4 | QSS Assist FP assay: S6K1: Inhibitory activity of the compound according to the ... | - |
Data from ChEMBL 36 via Core Engine