Compound Detail
CHEMBL5950869
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
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5950869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXDDSIHNNLQHGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
4.57
ALogP
7
HBA
2
HBD
96.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 6.42 | 6.42 | 382.0 | 1 |
| Nuclear receptor subfamily 2 group C member 2 CHEMBL5716 | IC50 | 6.23 | 6.23 | 591.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK | IC50 | = | 382.0 | nM | 6.42 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Nuclear receptor subfamily 2 group C member 2 | IC50 | = | 591.0 | nM | 6.23 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
Data from ChEMBL 36 via Core Engine