Compound Detail
CHEMBL3949626
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COc1cc(C)cc2cc(-c3c(CNCC(C)(C)O)c(CN4CCN(C(C)=O)CC4)n4ncnc(N)c34)sc12
Basic Information
| ChEMBL ID | CHEMBL3949626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLBFRCVAASUZPB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
3.03
ALogP
10
HBA
3
HBD
121.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 1.8 | nM | 8.74 | Kinase Assay: For the assay, 50 nl of each stock solution of the test compound i... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3.2 | nM | 8.49 | High ATP Kinase Assay: For the assay, 50 nl of each stock solution of the test c... | - |
Data from ChEMBL 36 via Core Engine