Compound Detail
CHEMBL5559089
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Basic Information
| ChEMBL ID | CHEMBL5559089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHRWDUFPJHUNHX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
105.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
EC50 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL2021750 | EC50 | 7.53 | 7.53 | 29.6 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.32 | 7.32 | 48.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.93 | 4.93 | 11680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | EC50 | = | 29.6 | nM | 7.53 | Inhibition of ALK5 signaling in mouse NIH3T3 cells transfected with (CAGA)12-luc... | 38626523 |
| TGF-beta receptor type-1 | IC50 | = | 48.3 | nM | 7.32 | Inhibition of ALK5 (unknown origin) incubated for 2 hrs in presence of ATP by AD... | 38626523 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11680.0 | nM | 4.93 | Inhibition of human ERG stably expressed in HEK293 cells by manual patch clamp m... | 38626523 |
Literature References
Data from ChEMBL 36 via Core Engine