Compound Detail
CHEMBL3691334
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CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC)CC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3691334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPPWCZGBJWRXIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
5.88
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 4.2 | nM | 8.38 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
Data from ChEMBL 36 via Core Engine