Compound Detail
CHEMBL5973005
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CN1CCN(CC(=O)Nc2cc(Nc3nc(-c4cccc(C(F)(F)F)n4)nn4cccc34)ccn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5973005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAEVGEGQUQSDLH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
3.13
ALogP
9
HBA
2
HBD
103.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1.0 | nM | 9.0 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
Data from ChEMBL 36 via Core Engine