Compound Detail
CHEMBL5594704
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(=O)c1c[nH]c(-c2sc(N(c3cnn(-c4ccncc4F)c3)C3CC3)nc2C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL5594704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCEHAYINFMPPPM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.46
ALogP
8
HBA
2
HBD
122.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.13 | 7.13 | 73.7 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
| Activin receptor type-2B CHEMBL5466 | IC50 | 5.2 | 5.2 | 6344.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of ALK5 (unknown origin) by TR-FRET assay | 38759932 |
| Activin receptor type-1-like | IC50 | = | 73.7 | nM | 7.13 | Inhibition of ALK1 (unknown origin) by TR-FRET assay | 38759932 |
| Activin receptor type-1 | IC50 | = | 183.0 | nM | 6.74 | Inhibition of ALK2 (unknown origin) by TR-FRET assay | 38759932 |
| Activin receptor type-1B | IC50 | = | 3690.0 | nM | 5.43 | Inhibition of ALK4 (unknown origin) by TR-FRET assay | 38759932 |
| Activin receptor type-2B | IC50 | = | 6344.0 | nM | 5.2 | Inhibition of ACTR2B (unknown origin) by TR-FRET assay | 38759932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38759932 | 10.1016/j.bmcl.2024.129797 | Unchecked | 6 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | TGF-beta receptor type-1 | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Activin receptor type-1-like | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Activin receptor type-1 | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Bone morphogenetic protein receptor type-1A | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Activin receptor type-1B | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Bone morphogenetic protein receptor type-1B | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Activin receptor type-2B | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Vascular endothelial growth factor receptor 2 | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Platelet-derived growth factor receptor alpha | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | High affinity nerve growth factor receptor | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | ADMET | 1 |
| 38759932 | 10.1016/j.bmcl.2024.129797 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine