Compound Detail
CHEMBL4556165
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
Basic Information
| ChEMBL ID | CHEMBL4556165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITDRXDTWCNITTA-FRJWGUMJSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
-0.88
ALogP
9
HBA
4
HBD
131.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
EC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.66 | 6.5 | 220.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 220.0 | nM | 6.66 | Antiviral activity against Hepatitis C virus genotype 2a infected in human Huh-l... | 30281308 |
| Hepatitis C virus | EC50 | = | 460.0 | nM | 6.34 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-l... | 30281308 |
| HL-60 | IC50 | = | 2290.0 | nM | 5.64 | Antiproliferative activity against human HL60 cells after 72 hrs by XTT assay | 30281308 |
| CCRF-CEM | IC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against human CCRF-CEM cells after 3 days by MTS assa... | 30281308 |
| U2OS | IC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against human U2OS cells after 3 days by MTS assay | 30281308 |
Literature References
Data from ChEMBL 36 via Core Engine