Compound Detail
CHEMBL4752978
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CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(C(=O)N2Cc3ccc(C(N)=O)cc3C2)n1
Basic Information
| ChEMBL ID | CHEMBL4752978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTCXCSWNNQIPRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
1.65
ALogP
6
HBA
3
HBD
150.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TAK1/TAB1 CHEMBL3038499 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TAK1/TAB1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein ... | 33859795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33859795 | 10.1021/acsmedchemlett.0c00547 | TAK1/TAB1 | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Casein kinase II subunit alpha | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Casein kinase II subunit alpha' | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Calcium-dependent protein kinase 1 | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | 1 |
Data from ChEMBL 36 via Core Engine