Compound Detail
CHEMBL3701273
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#Cc2cn(C3CN(C(=O)/C=C/CN4CCC(O)CC4)C3)c3ncnc(N)c23)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3701273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLJNJQGYEHAOQH-ONEGZZNKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
1.83
ALogP
9
HBA
2
HBD
119.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.64 | 8.64 | 2.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 2.3 | nM | 8.64 | Inhibition Assay: When setting conditions for the measurement of the inhibitory ... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 2.3 | nM | 8.64 | FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 2.3 | nM | 8.64 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
Data from ChEMBL 36 via Core Engine