Compound Detail
CHEMBL3889953
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(C)cc2cc(-c3c(COCC(F)(F)F)c(CN4CCNCC4)n4ncnc(N)c34)sc12
Basic Information
| ChEMBL ID | CHEMBL3889953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSRCAUFYXJRQBZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
3.99
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1.6 | nM | 8.8 | High ATP Kinase Assay: For the assay, 50 nl of each stock solution of the test c... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 2.5 | nM | 8.6 | Kinase Assay: For the assay, 50 nl of each stock solution of the test compound i... | - |
Data from ChEMBL 36 via Core Engine