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Compound Detail

CHEMBL465208

SALIDROSIDE
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OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465208
Name SALIDROSIDE
Phase Preclinical
Structure Type MOL
InChI Key ILRCGYURZSFMEG-RKQHYHRCSA-N
5
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
-1.25
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.46
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 C14H20O7
MW 300.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.91

Activity Summary

IC50 4 meas. best 6.09
EC50 3 meas. best 6.68
Ki 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PC-12
CHEMBL612556
 EC50 6.68 6.6267 210.0 3
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 6.09 6.09 810.0 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 6.04 6.04 920.0 1
HeLa
CHEMBL399
 IC50 4.98 4.98 10493.0 1
MDA-MB-231
CHEMBL400
 IC50 4.4 4.4 40000.0 1
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 4.14 4.14 72000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PC-12 EC50 = 210.0 nM 6.68 Neuroprotective activity against CoCl2-induced neuronal injury in rat PC12 cells 31924497
PC-12 EC50 = 210.0 nM 6.68 Neuroprotective activity against CoCl2-induced neuronal injury in rat PC-12 cell... 32738992
PC-12 EC50 = 300.0 nM 6.52 Neuroprotective activity against CoCl2-induced cytotoxicity in rat PC12 cells as... 33097301
Amine oxidase [flavin-containing] B IC50 = 810.0 nM 6.09 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cell... 33097301
Amine oxidase [flavin-containing] B Ki = 920.0 nM 6.04 Competitive inhibition of human recombinant MAO-B expressed in baculovirus infec... 33097301
HeLa IC50 = 10493.0 nM 4.98 Antiproliferative activity against human HeLa cells assessed as inhibition of ce... 34978808
MDA-MB-231 IC50 = 40000.0 nM 4.4 Anticancer activity against human MDA-MB-231 cells assessed as cell growth inhib... 33650861
Prostaglandin G/H synthase 1 IC50 = 72000.0 nM 4.14 Inhibition of COX1 16038536

Literature References

PubMed DOI Target Context # Activities
35985062 10.1016/j.bmc.2022.116865 Epithelial cell 29
22483064 10.1021/np200555s Erythrocyte 21
34978808 10.1021/acs.jnatprod.1c00950 Unchecked 19
35985062 10.1016/j.bmc.2022.116865 Rattus norvegicus 15
- 10.1007/s00044-012-0247-z L02 12
34978808 10.1021/acs.jnatprod.1c00950 ADMET 12
22483064 10.1021/np200555s ADMET 10
34978808 10.1021/acs.jnatprod.1c00950 HeLa 8
34939794 10.1021/acs.jmedchem.1c00947 Unchecked 6
34939794 10.1021/acs.jmedchem.1c00947 Mus musculus 6
21489793 10.1016/j.bmcl.2011.03.091 Unchecked 6
21855355 10.1016/j.bmc.2011.07.031 PC-12 6
34939794 10.1021/acs.jmedchem.1c00947 ADMET 6
34939794 10.1021/acs.jmedchem.1c00947 HUVEC 5
34939794 10.1021/acs.jmedchem.1c00947 MOVAS-1 5
20159656 10.1016/j.bmc.2010.01.047 Hepatocyte 4
20159656 10.1016/j.bmc.2010.01.047 L929 4
34978808 10.1021/acs.jnatprod.1c00950 Mus musculus 3
- 10.1007/s00044-012-0247-z NON-PROTEIN TARGET 3
22483064 10.1021/np200555s NON-PROTEIN TARGET 3

Data from ChEMBL 36 via Core Engine