Compound Detail
CHEMBL251056
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Basic Information
| ChEMBL ID | CHEMBL251056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKAHUDOWKGIGAA-IAWGOJCDSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
-0.90
ALogP
6
HBA
4
HBD
108.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.0
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| Tobacco mosaic virus CHEMBL613818 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HSV1 KOS ATCC VR1493 infected in African green monkey... | 26819664 |
| Human alphaherpesvirus 3 | EC50 | = | 150.0 | nM | 6.82 | Antiviral activity against VZV infected in human ARPE19 cells treated at 2 hrs p... | 26819664 |
| Hepatitis C virus | EC50 | = | 680.0 | nM | 6.17 | Antiviral activity against Hepatitis C virus infected in human Huh7.5 cells afte... | 23511018 |
| Tobacco mosaic virus | IC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Tobacco mosaic virus U1 after 72 hrs by half leaf met... | 17822295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819664 | 10.1021/acsmedchemlett.5b00318 | Human alphaherpesvirus 1 | 18 |
| 8277308 | 10.1021/np50100a004 | NON-PROTEIN TARGET | 6 |
| 1336040 | 10.1021/np50089a003 | ADMET | 5 |
| 8277308 | 10.1021/np50100a004 | DMS-114 | 3 |
| 8277308 | 10.1021/np50100a004 | COLO 205 | 3 |
| 8277308 | 10.1021/np50100a004 | NCI-H460 | 3 |
| 8277308 | 10.1021/np50100a004 | NCI-H322M | 3 |
| 8277308 | 10.1021/np50100a004 | NCI-H23 | 3 |
| 8277308 | 10.1021/np50100a004 | NCI-H226 | 3 |
| 8277308 | 10.1021/np50100a004 | HOP-92 | 3 |
| 8277308 | 10.1021/np50100a004 | HOP-62 | 3 |
| 8277308 | 10.1021/np50100a004 | HOP-18 | 3 |
| 8277308 | 10.1021/np50100a004 | EKVX | 3 |
| 8277308 | 10.1021/np50100a004 | A549 | 3 |
| 8277308 | 10.1021/np50100a004 | SR | 3 |
| 8277308 | 10.1021/np50100a004 | RPMI-8226 | 3 |
| 8277308 | 10.1021/np50100a004 | MOLT-4 | 3 |
| 8277308 | 10.1021/np50100a004 | K562 | 3 |
| 8277308 | 10.1021/np50100a004 | HL-60 | 3 |
| 8277308 | 10.1021/np50100a004 | CCRF-CEM | 3 |
Data from ChEMBL 36 via Core Engine