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Compound Detail

CHEMBL462894

GENIPOSIDE
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COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462894
Name GENIPOSIDE
Phase Preclinical
Structure Type MOL
InChI Key IBFYXTRXDNAPMM-BVTMAQQCSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
-2.23
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H24O10
MW 388.37
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.76

Activity Summary

EC50 1 meas. best 5.78
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.78 5.78 1650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1650.0 nM 5.78 Upregulation of NE suppressed c-Kit expression in human epidermal melanocyte 38422702

Literature References

PubMed DOI Target Context # Activities
35835380 10.1016/j.bmcl.2022.128886 i-motif DNA 12
35835380 10.1016/j.bmcl.2022.128886 quadruplex DNA 6
35468514 10.1016/j.ejmech.2022.114379 HK-2 5
23353754 10.1016/j.ejmech.2012.12.038 Enterovirus A71 4
1667413 10.1021/np50078a032 Unchecked 4
19904996 10.1021/np900549e Hepatitis C virus 4
35468514 10.1016/j.ejmech.2022.114379 Mus musculus 3
35835380 10.1016/j.bmcl.2022.128886 dsDNA 3
16643034 10.1021/np050447r NON-PROTEIN TARGET 2
23353754 10.1016/j.ejmech.2012.12.038 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16309325 10.1021/np0580816 T-cell 2
16643034 10.1021/np050447r Human immunodeficiency virus type 1 integrase 1
38422702 10.1016/j.ejmech.2024.116269 Unchecked 1
23305920 10.1016/j.bmcl.2012.11.099 RAW264.7 1
16643034 10.1021/np050447r Radical scavenging activity 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
12542353 10.1021/np020215h Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine