Compound Detail
CHEMBL463281
COCHINCHISIDE B Enter ChEMBL ID:
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O=C(O[C@H]1[C@H](Oc2c(O)cccc2COC(=O)C2(O)C=CCCC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL463281 |
| Name | COCHINCHISIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAXLSURJPZQJPA-KELFPRCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
0.13
ALogP
12
HBA
5
HBD
189.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 4.12 | 4.12 | 76000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 76000.0 | nM | 4.12 | Antiviral activity against HSV1 | 15104498 |
| Human alphaherpesvirus 2 | EC50 | = | 76000.0 | nM | 4.12 | Antiviral activity against HSV2 | 15104498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15104498 | 10.1021/np034052o | Human alphaherpesvirus 1 | 1 |
| 15104498 | 10.1021/np034052o | Human alphaherpesvirus 2 | 1 |
| 15104498 | 10.1021/np034052o | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine