Compound Detail
CHEMBL2023370
GNIDICIN Enter ChEMBL ID:
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C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2023370 |
| Name | GNIDICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTTFLYUONKAFGT-LUUDNWDQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
628.7
MW (Da)
2.57
ALogP
10
HBA
3
HBD
144.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.07 | 7.91 | 8.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 8.6 | nM | 8.07 | Antiviral activity against CXCR4-tropic HIV1 NL4-3 infected in HEK293T cells ass... | 22148316 |
| Human immunodeficiency virus 1 | EC50 | = | 17.6 | nM | 7.75 | 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 |
| 22148316 | 10.1021/np200855d | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine