Compound Detail
CHEMBL4869917
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
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(S(C)(=O)=O)CC5)c4)c(=O)n3c2)c1
Basic Information
| ChEMBL ID | CHEMBL4869917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USJNJIHFOSQPFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
609.8
MW (Da)
3.31
ALogP
11
HBA
1
HBD
123.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-16 CHEMBL613529 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNU-16 | IC50 | = | 0.67 | nM | 9.17 | Antiproliferative activity against human SNU-16 cells assessed as reduction in c... | 33940465 |
| Fibroblast growth factor receptor 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human N-terminal GST fusion tagged FGFR1 cytoplasmic domain (398 t... | 33940465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33940465 | 10.1016/j.ejmech.2021.113499 | Fibroblast growth factor receptor 1 | 1 |
| 33940465 | 10.1016/j.ejmech.2021.113499 | SNU-16 | 1 |
| 33940465 | 10.1016/j.ejmech.2021.113499 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine