Compound Detail
CHEMBL4289398
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Basic Information
| ChEMBL ID | CHEMBL4289398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVFPORQLFAREET-QEGRKFQGSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
0.91
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.18
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 6.18 | 5.91 | 660.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.08 | 5.045 | 8260.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 260.0 | nM | 6.58 | Antiproliferative activity against human CEM cells after 72 hrs by Coulter count... | 30098481 |
| Human betaherpesvirus 5 | EC50 | = | 660.0 | nM | 6.18 | Antiviral activity against Human cytomegalovirus Davis strain infected in HELF c... | 30098481 |
| HeLa | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against human HeLa cells after 72 hrs by Coulter coun... | 30098481 |
| Human betaherpesvirus 5 | EC50 | = | 2310.0 | nM | 5.64 | Antiviral activity against Human cytomegalovirus AD169 strain infected in HELF c... | 30098481 |
| Human alphaherpesvirus 3 | EC50 | = | 8260.0 | nM | 5.08 | Antiviral activity against thymidine kinase-deficient Varicella Zoster virus 07-... | 30098481 |
| Human alphaherpesvirus 3 | EC50 | = | 9820.0 | nM | 5.01 | Antiviral activity against thymidine kinase-deficient Varicella Zoster virus Oka... | 30098481 |
| L1210 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against mouse L1210 cells after 48 hrs by Coulter cou... | 30098481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Human betaherpesvirus 5 | 2 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Human alphaherpesvirus 3 | 2 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Unchecked | 2 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Human alphaherpesvirus 1 | 2 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Vaccinia virus | 1 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | Human alphaherpesvirus 2 | 1 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | HeLa | 1 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | CCRF-CEM | 1 |
| 30098481 | 10.1016/j.ejmech.2018.07.062 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine