Compound Detail
CHEMBL4534023
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4534023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVAUXGZLUPOFNR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597311 |
| Active Moiety | CHEMBL4597311 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
793.7
MW (Da)
8.13
ALogP
4
HBA
3
HBD
108.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC827 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against erlotinib-resistant human HCC827B cells expressing MET asse... | 27563407 |
| TAMH | IC50 | = | 15100.0 | nM | 4.82 | Cytotoxicity against TAMH assessed as reduction in cell viability after 24 hrs b... | 27563407 |
| HCC827 | IC50 | = | 16700.0 | nM | 4.78 | Cytotoxicity against erlotinib-sensitive human HCC827A cells assessed as reducti... | 27563407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27563407 | 10.1021/acsmedchemlett.6b00223 | HCC827 | 6 |
| 27563407 | 10.1021/acsmedchemlett.6b00223 | Hepatocyte growth factor receptor | 4 |
| 27563407 | 10.1021/acsmedchemlett.6b00223 | ADMET | 4 |
| 27563407 | 10.1021/acsmedchemlett.6b00223 | TAMH | 1 |
Data from ChEMBL 36 via Core Engine