Compound Detail
CHEMBL5956002
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Basic Information
| ChEMBL ID | CHEMBL5956002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHAIHARSRAHKQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
4.12
ALogP
8
HBA
2
HBD
100.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 0.4 | nM | 9.4 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
| TGF-beta receptor type-2 | IC50 | = | 160.0 | nM | 6.8 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
Data from ChEMBL 36 via Core Engine