Compound Detail
CHEMBL1241146
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Basic Information
| ChEMBL ID | CHEMBL1241146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICDCVRJWUJSYAX-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.32
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.46
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.46 | 6.435 | 350.0 | 2 |
| Hepatitis B virus CHEMBL613497 | EC50 | 6.19 | 5.935 | 640.0 | 2 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 350.0 | nM | 6.46 | Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... | 22059983 |
| Hepatitis C virus | EC50 | = | 390.0 | nM | 6.41 | Antiviral activity against HCV genotype 1a infected in Huh7.5 cells assessed as ... | 22059983 |
| Hepatitis B virus | EC50 | = | 640.0 | nM | 6.19 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Hepatitis B virus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Signal transducer and activator of transcription 3 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6... | 34055214 |
| HeLa | IC50 | = | 20500.0 | nM | 4.69 | Cytotoxicity against human HeLa cells assessed as inhibition of cell viability m... | 34055214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21553812 | 10.1021/jm200153p | Hepatitis B virus | 4 |
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 4 |
| 20047919 | 10.1128/aac.00614-09 | Cryptosporidium parvum | 2 |
| 21553812 | 10.1021/jm200153p | Unchecked | 2 |
| 22059983 | 10.1021/jm201264t | Unchecked | 2 |
| 22059983 | 10.1021/jm201264t | ADMET | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | Signal transducer and activator of transcription 3 | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | HeLa | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | HEK-293T | 2 |
| 20047919 | 10.1128/aac.00614-09 | HCT-8 | 1 |
| 21553812 | 10.1021/jm200153p | ADMET | 1 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine