Compound Detail
CHEMBL2035565
DIHYDROGEODIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2035565 |
| Name | DIHYDROGEODIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXIPUIQLQUNOCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
3.44
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.25 | 4.25 | 56300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 56300.0 | nM | 4.25 | Antiviral activity against VSV-G pseudotyped HIV1 infected in human SupT1 cells ... | 29016131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29016131 | 10.1021/acs.jnatprod.6b00878 | Human immunodeficiency virus 1 | 2 |
| 22360613 | 10.1021/np200866z | MCF7 | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | MCF7 | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | HepG2 | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | Jurkat | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | A549 | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | K562 | 1 |
| 27933892 | 10.1021/acs.jnatprod.6b00766 | Unchecked | 1 |
| 29016131 | 10.1021/acs.jnatprod.6b00878 | SUP-T1 | 1 |
| 31980363 | 10.1016/j.bmc.2019.115279 | SU.86.86 | 1 |
Data from ChEMBL 36 via Core Engine