Compound Detail
CHEMBL1170377
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Basic Information
| ChEMBL ID | CHEMBL1170377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIJMSZGHKQPPJS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.71
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of TbetaR-1 (unknown origin) | 32092587 |
| TGF-beta receptor type-1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| 20621731 | 10.1016/j.bmcl.2010.05.032 | TGF-beta receptor type-1 | 3 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 32092587 | 10.1016/j.ejmech.2020.112154 | TGF-beta receptor type-1 | 1 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 1 |
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine