Compound Detail
CHEMBL1163506
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COS(=O)(=O)[O-].C[N+](C)(C)CCNC(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3C1=O)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL1163506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILKOPGYMFKXHNO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178319 |
| Active Moiety | CHEMBL1178319 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.09
ALogP
4
HBA
3
HBD
87.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8600.0 | nM | 5.07 | Antiproliferative activity against human LXFL 529L cells after 3 days by sulforh... | 20488718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20488718 | 10.1016/j.bmc.2010.04.066 | No relevant target | 1 |
| 20488718 | 10.1016/j.bmc.2010.04.066 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine