Compound Detail
CHEMBL1241274
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Basic Information
| ChEMBL ID | CHEMBL1241274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNMFWTSQIXKEPO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
268.7
MW (Da)
3.06
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 6.92 | 6.4833 | 120.0 | 3 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against Hepatitis B virus | 24549242 |
| Hepatitis B virus | EC50 | = | 330.0 | nM | 6.48 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Hepatitis B virus | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Hepatitis C virus | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against HCV genotype 1a infected in Huh7.5 cells assessed as ... | 22059983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21553812 | 10.1021/jm200153p | Hepatitis B virus | 4 |
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 4 |
| 21553812 | 10.1021/jm200153p | ADMET | 3 |
| 20047919 | 10.1128/aac.00614-09 | Cryptosporidium parvum | 2 |
| 21553812 | 10.1021/jm200153p | Unchecked | 2 |
| 22059983 | 10.1021/jm201264t | Canis familiaris | 2 |
| 22059983 | 10.1021/jm201264t | ADMET | 2 |
| 20047919 | 10.1128/aac.00614-09 | HCT-8 | 1 |
| 21553812 | 10.1021/jm200153p | Blood | 1 |
| 21553812 | 10.1021/jm200153p | Plasma | 1 |
| 21553812 | 10.1021/jm200153p | Liver microsomes | 1 |
| 21553812 | 10.1021/jm200153p | Liver | 1 |
| 24549242 | 10.1016/j.ejmech.2014.01.046 | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine