Compound Detail
CHEMBL3261090
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Cc1cccc(-c2[nH]c(CNC(=S)c3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1
Basic Information
| ChEMBL ID | CHEMBL3261090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBPXTOJQWAMHDU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.05
ALogP
7
HBA
3
HBD
126.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.66 | 7.66 | 22.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.55 | 5.55 | 2820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of GST-fused recombinant human ALK5 expressed in baculovirus-infected... | 24704197 |
| TGF-beta receptor type-1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant GST-tagged ALK5 expressed in baculovirus infecte... | 38508118 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2830.0 | nM | 5.55 | Inhibition of recombinant human p38-alpha expressed in Escherichia coli using AT... | 24704197 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2820.0 | nM | 5.55 | Inhibition of human recombinant p38alpha expressed in Escherichia coli incubated... | 38508118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24704197 | 10.1016/j.bmc.2014.03.022 | TGF-beta receptor type-1 | 2 |
| 24704197 | 10.1016/j.bmc.2014.03.022 | Mitogen-activated protein kinase 14 | 1 |
| 24704197 | 10.1016/j.bmc.2014.03.022 | Unchecked | 1 |
| 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