Compound Detail
CHEMBL3701244
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COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CNC(C)C)C3)c3ncnc(N)c23)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3701244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMQFTNDWXZWCPI-AATRIKPKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
1.76
ALogP
9
HBA
2
HBD
120.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.42 | 8.42 | 3.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Inhibition Assay: When setting conditions for the measurement of the inhibitory ... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.8 | nM | 8.42 | FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
Data from ChEMBL 36 via Core Engine