Compound Detail
CHEMBL5557604
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Cc1cccc(-c2[nH]c(CNC(=S)[C@@H](N)Cc3ccccc3)nc2-c2ccc3ncnn3c2)n1
Basic Information
| ChEMBL ID | CHEMBL5557604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKMCPKRZJRABJT-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.48
ALogP
7
HBA
3
HBD
109.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of human recombinant GST-tagged ALK5 expressed in baculovirus infecte... | 38508118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38508118 | 10.1016/j.ejmech.2024.116311 | Mitogen-activated protein kinase 14 | 1 |
| 38508118 | 10.1016/j.ejmech.2024.116311 | TGF-beta receptor type-1 | 1 |
| 38508118 | 10.1016/j.ejmech.2024.116311 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine