Compound Detail
CHEMBL5595449
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[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)/C=C/c4ccc(C(F)(F)F)cc4)c3)c2c1)c1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5595449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPSGJDZCNYTRGP-ASZQBUMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
641.5
MW (Da)
7.62
ALogP
6
HBA
2
HBD
97.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KATO III stomach cancer cell line CHEMBL612700 | IC50 | 7.38 | 7.38 | 41.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KATO III stomach cancer cell line | IC50 | = | 41.8 | nM | 7.38 | Antiproliferative activity against FGFR2 amplified human KATO III cells measured... | 38908103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38908103 | 10.1016/j.ejmech.2024.116612 | Fibroblast growth factor receptor 2 | 1 |
| 38908103 | 10.1016/j.ejmech.2024.116612 | KATO III stomach cancer cell line | 1 |
Data from ChEMBL 36 via Core Engine