Compound Detail
CHEMBL86238
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CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1OC(n2cc(/C=C/Br)c(=O)[nH]c2=O)CS1
Basic Information
| ChEMBL ID | CHEMBL86238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBMVFLYJMPKURY-HPUITIDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
3.97
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 12500.0 | nM | 4.9 | Effective concentration to show 50% of activity was measured on varicella zoster... | 10891113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891113 | 10.1021/jm990543n | ADMET | 2 |
| 10891113 | 10.1021/jm990543n | Human alphaherpesvirus 3 | 1 |
| 10891113 | 10.1021/jm990543n | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine