Compound Detail
CHEMBL2368141
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COc1ccc2c(c1)COP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]1O)O2
Basic Information
| ChEMBL ID | CHEMBL2368141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSZODUPWXBSLSC-JAOYJFHLSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
531.2
MW (Da)
2.29
ALogP
10
HBA
2
HBD
138.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.47 | 5.47 | 3350.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.32 | - | - |
| T1/2 | 2.75 | - | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 3350.0 | nM | 5.47 | Effective concentration for the inhibition of Epstein-Barr virus EBV-DNA synthes... | 12408726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408726 | 10.1021/jm0209275 | ADMET | 2 |
| 12408726 | 10.1021/jm0209275 | No relevant target | 1 |
| 12408726 | 10.1021/jm0209275 | Nucleic Acid | 1 |
| 12408726 | 10.1021/jm0209275 | P3HR-1 | 1 |
| 12408726 | 10.1021/jm0209275 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine