Compound Detail
CHEMBL2012669
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Basic Information
| ChEMBL ID | CHEMBL2012669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWRHCTKIFNFUMB-QRPMWFLTSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
-0.94
ALogP
8
HBA
4
HBD
130.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.26 | 8.26 | 5.5 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 5.52 | 5.435 | 3000.0 | 2 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5.5 | nM | 8.26 | Antiviral activity against HIV-1 infected in human MT-4 cells assessed as inhibi... | 23795238 |
| Human alphaherpesvirus 2 | EC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against HSV-2 G infected in HEL cells assessed as inhibition ... | 23795238 |
| Human alphaherpesvirus 1 | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HSV-1 KOS infected in HEL cells assessed as inhibitio... | 23795238 |
| Human alphaherpesvirus 1 | EC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against ACV-resistant TK-deficient HSV-1 KOS infected in HEL ... | 23795238 |
| Vaccinia virus | EC50 | = | 27000.0 | nM | 4.57 | Antiviral activity against Vaccinia virus Lederle infected in HEL cells assessed... | 23795238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795238 | 10.1021/ml2001054 | Unchecked | 3 |
| 23795238 | 10.1021/ml2001054 | Human alphaherpesvirus 1 | 2 |
| 23795238 | 10.1021/ml2001054 | Influenza A virus | 2 |
| 23795238 | 10.1021/ml2001054 | Sindbis virus | 1 |
| 23795238 | 10.1021/ml2001054 | Influenza B virus | 1 |
| 23795238 | 10.1021/ml2001054 | Felid alphaherpesvirus 1 | 1 |
| 23795238 | 10.1021/ml2001054 | Feline coronavirus | 1 |
| 23795238 | 10.1021/ml2001054 | Respiratory syncytial virus | 1 |
| 23795238 | 10.1021/ml2001054 | Vesicular stomatitis virus | 1 |
| 23795238 | 10.1021/ml2001054 | Punta Toro virus | 1 |
| 23795238 | 10.1021/ml2001054 | Coxsackievirus B4 | 1 |
| 23795238 | 10.1021/ml2001054 | Human immunodeficiency virus 1 | 1 |
| 23795238 | 10.1021/ml2001054 | Mammalian orthoreovirus 1 | 1 |
| 23795238 | 10.1021/ml2001054 | Human respirovirus 3 | 1 |
| 23795238 | 10.1021/ml2001054 | HEL | 1 |
| 23795238 | 10.1021/ml2001054 | Vaccinia virus | 1 |
| 23795238 | 10.1021/ml2001054 | Human alphaherpesvirus 2 | 1 |
| 23795238 | 10.1021/ml2001054 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine