Compound Detail
CHEMBL261641
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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL261641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPYJSJDOHRDAMT-KQWNVCNZSA-N |
16
Targets
28
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
568.1
MW (Da)
3.99
ALogP
5
HBA
2
HBD
105.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 26 meas. best 8.0
Ki 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.0 | 7.315 | 10.0 | 8 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | Ki | 7.98 | 7.98 | 10.5 | 1 |
| Hepatocyte growth factor receptor CHEMBL2046265 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.64 | 6.4625 | 228.0 | 4 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 6.31 | 6.31 | 489.8 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.28 | 5.735 | 530.0 | 2 |
| SNU-5 CHEMBL614934 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| SNU1 CHEMBL614931 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| NCI-H1993 CHEMBL1075527 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.96 | 4.96 | 10870.0 | 2 |
| NCI-H441 CHEMBL1075542 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine