Compound Detail
CHEMBL3944496
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CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1C(=O)N[C@H]1CCNC1=O
Basic Information
| ChEMBL ID | CHEMBL3944496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDNVTIXZSMOZTO-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.67
ALogP
9
HBA
3
HBD
132.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 3.7 | nM | 8.43 | High ATP Kinase Assay: For the assay, 50 nl of each stock solution of the test c... | - |
Data from ChEMBL 36 via Core Engine