Compound Detail
CHEMBL5890695
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OC12CC3CC(C1)CC(NCc1ccn4nc(-c5ccccn5)nc(Nc5ccncc5F)c14)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL5890695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIJVUYWUMOEEJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.24
ALogP
8
HBA
3
HBD
100.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1.2 | nM | 8.92 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
| TGF-beta receptor type-2 | IC50 | = | 9700.0 | nM | 5.01 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
Data from ChEMBL 36 via Core Engine