Compound Detail
CHEMBL3691263
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CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(C)C3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3691263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROYMPAYADCOZNW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
4.71
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.19 | 8.075 | 6.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 6.5 | nM | 8.19 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 10.9 | nM | 7.96 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
Data from ChEMBL 36 via Core Engine