Compound Detail
CHEMBL147814
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Basic Information
| ChEMBL ID | CHEMBL147814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAMRYEXIMYXFNT-UHFFFAOYSA-N |
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
343.1
MW (Da)
-0.07
ALogP
7
HBA
4
HBD
153.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.16
IC50 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Moloney murine sarcoma virus CHEMBL613501 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 0.15 | nM | 9.82 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Human alphaherpesvirus 3 | IC50 | = | 0.15 | nM | 9.82 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 0.7 | nM | 9.15 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
| Vaccinia virus | IC50 | = | 0.7 | nM | 9.15 | Antiviral activity against Vaccinia virus | 19112024 |
| Moloney murine sarcoma virus | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against murine sarcoma virus | 14584956 |
| Human immunodeficiency virus 1 | EC50 | = | 7300.0 | nM | 5.14 | Antiviral activity against HIV-1 (IIIB) in CEM (human leukemia) cells. | 14584956 |
| Human immunodeficiency virus 2 | EC50 | = | 9500.0 | nM | 5.02 | Antiviral activity against HIV-2 (ROD) in CEM (human leukemia) cells. | 14584956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17893157 | 10.1128/aac.00838-07 | ADMET | 4 |
| 17893157 | 10.1128/aac.00838-07 | Unchecked | 4 |
| 17893157 | 10.1128/aac.00838-07 | Camelpox virus | 4 |
| 14584956 | 10.1021/jm030932o | NON-PROTEIN TARGET | 3 |
| 14584956 | 10.1021/jm030932o | Cytomegalovirus | 2 |
| 14584956 | 10.1021/jm030932o | Human alphaherpesvirus 3 | 2 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 1 | 1 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 2 | 1 |
| 14584956 | 10.1021/jm030932o | Moloney murine sarcoma virus | 1 |
| 14584956 | 10.1021/jm030932o | CCRF-CEM | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine