Compound Detail
CHEMBL2335009
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CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])CO[C@H](C)Cn1cnc2c(N)nc(N)nc21.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2335009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZSOGVJMBDPQBE-GJFSDDNBSA-M |
| Parent Compound | CHEMBL2365402 |
| Active Moiety | CHEMBL2365402 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
6.44
ALogP
10
HBA
3
HBD
160.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline immunodeficiency virus CHEMBL613744 | EC50 | 9.24 | 9.24 | 0.6 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.65 | 8.65 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline immunodeficiency virus | EC50 | = | 0.58 | nM | 9.24 | Antiviral activity against Feline immunodeficiency virus infected in cat CRFK ce... | 23375089 |
| Human immunodeficiency virus 1 | EC50 | = | 2.24 | nM | 8.65 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 23375089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human alphaherpesvirus 3 | 2 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human betaherpesvirus 5 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Vaccinia virus | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Felid alphaherpesvirus 1 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human alphaherpesvirus 2 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human alphaherpesvirus 1 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Punta Toro virus | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Coxsackievirus B4 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | ADMET | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | MT4 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Feline immunodeficiency virus | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine