Compound Detail
CHEMBL373954
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Cc1cn([C@H]2C=C[C@@H](OCP(=O)(OC(=O)OC(C)C)OC(=O)OC(C)C)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL373954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYKXRKAPXZASPV-KGLIPLIRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
2.55
ALogP
12
HBA
1
HBD
161.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 910.0 | nM | 6.04 | Inhibition of virus-induced cytopathic effect in wild type HIV 3a infected MT2 c... | 17562366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17562366 | 10.1016/j.bmc.2007.05.047 | Human immunodeficiency virus 1 | 3 |
| 17562366 | 10.1016/j.bmc.2007.05.047 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine