Compound Detail
CHEMBL5818729
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
Basic Information
| ChEMBL ID | CHEMBL5818729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQPRHDZTTYJDPW-ZDUSSCGKSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
4.67
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1B CHEMBL5310 | IC50 | 8.32 | 8.32 | 4.8 | 3 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.98 | 7.98 | 10.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1B | IC50 | = | 4.8 | nM | 8.32 | In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... | - |
| Activin receptor type-1B | IC50 | = | 4.8 | nM | 8.32 | In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... | - |
| Activin receptor type-1B | IC50 | = | 4.8 | nM | 8.32 | In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... | - |
| TGF-beta receptor type-1 | IC50 | = | 10.5 | nM | 7.98 | In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the inve... | - |
| TGF-beta receptor type-1 | IC50 | = | 10.5 | nM | 7.98 | In Vitro Kinase Assay: Compound of the invention were screened in an in vitro ki... | - |
| TGF-beta receptor type-1 | IC50 | = | 10.5 | nM | 7.98 | In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases: Compound of the in... | - |
Data from ChEMBL 36 via Core Engine