Compound Detail
CHEMBL3973451
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
C=CC(=O)Nc1cccc(-n2c(=O)[nH]c3cnc(Nc4ccc(N5CCOCC5)cc4OC)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL3973451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAAMRYWOMUCGPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
2.82
ALogP
9
HBA
3
HBD
126.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.41 | 4.41 | 39100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 39100.0 | nM | 4.41 | Antiproliferative activity against human Ramos cells after 48 hrs by CCK-8 assay | 27994736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994736 | 10.1021/acsmedchemlett.6b00235 | NON-PROTEIN TARGET | 2 |
| 27994736 | 10.1021/acsmedchemlett.6b00235 | Tyrosine-protein kinase JAK3 | 1 |
| 27994736 | 10.1021/acsmedchemlett.6b00235 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine