Compound Detail
CHEMBL204063
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Basic Information
| ChEMBL ID | CHEMBL204063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLCHJBPDLYRMBA-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.60
ALogP
6
HBA
1
HBD
68.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.39 | 7.2967 | 41.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.43 | 6.43 | 371.0 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink ... | 16539403 |
| Unchecked | IC50 | = | 371.0 | nM | 6.43 | Inhibitory activity against TGF-beta-stimulated proliferation in NIH3T3 cells | 16539403 |
| TGF-beta receptor type-2 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells | 16539403 |
| Mitogen-activated protein kinase kinase kinase 20 | IC50 | = | 2810.0 | nM | 5.55 | Inhibition of MLK7 | 16539403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-1 | 2 |
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-2 | 1 |
| 16539403 | 10.1021/jm058209g | Mitogen-activated protein kinase kinase kinase 20 | 1 |
| 16539403 | 10.1021/jm058209g | Unchecked | 1 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine