Compound Detail
CHEMBL5557476
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)OC(=O)N1CCN(CCn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5557476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOYBJUZNUGISIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
3.11
ALogP
8
HBA
2
HBD
118.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL2021750 | EC50 | 6.31 | 6.31 | 487.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | EC50 | = | 487.6 | nM | 6.31 | Inhibition of ALK5 signaling in mouse NIH3T3 cells transfected with (CAGA)12-luc... | 38626523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine