Compound Detail
CHEMBL4473048
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CC(C)(C)C(=O)OC[C@@H]1CC[C@H](n2cc(C#Cc3ccc4c5cccc6cccc(c7cccc3c74)c65)c(=O)[nH]c2=O)O1
Basic Information
| ChEMBL ID | CHEMBL4473048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMLQJWAZPGHFPA-QABMSTFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
6.25
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 190.0 | nM | 6.72 | Antiviral activity against HSV-1 infected in African green monkey Vero cells pre... | 30909022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30909022 | 10.1016/j.ejmech.2019.03.029 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine