Compound Detail
CHEMBL3701280
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C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1c1nnc(C)o1
Basic Information
| ChEMBL ID | CHEMBL3701280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQJJVELGKQUUJN-RXVVDRJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
2.82
ALogP
10
HBA
1
HBD
134.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 8.8 | nM | 8.06 | Inhibition Assay: When setting conditions for the measurement of the inhibitory ... | - |
Data from ChEMBL 36 via Core Engine