Compound Detail
CHEMBL447856
EXCOECARIA TOXIN Enter ChEMBL ID:
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C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2
Basic Information
| ChEMBL ID | CHEMBL447856 |
| Name | EXCOECARIA TOXIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZCPFHFUOUQBDL-WMPGSHDWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
2.87
ALogP
8
HBA
3
HBD
118.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.96 | 5.88 | 1083.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1083.0 | nM | 5.96 | Antiviral activity against CXCR4-tropic HIV1 NL4-3 infected in HEK293T cells ass... | 22148316 |
| Human immunodeficiency virus 1 | EC50 | = | 1567.0 | nM | 5.8 | Antiviral activity against CCR5-tropic HIV1 NL-AD87 infected in HEK293T cells as... | 22148316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148316 | 10.1021/np200855d | Human immunodeficiency virus 1 | 2 |
| 6736968 | 10.1021/np50032a006 | P388 | 1 |
| 22148316 | 10.1021/np200855d | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine