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Compound Detail

CHEMBL256105

MONENSIN
💊 Approved Drug
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💊 Approved Drug
CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)O3)O2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256105
Name MONENSIN
Phase Approved
Structure Type MOL
InChI Key GAOZTHIDHYLHMS-KEOBGNEYSA-N

Known Names

67314 A-3823A E714 Monensin Monensina
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

670.9
MW (Da)
4.27
ALogP
10
HBA
4
HBD
153.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Year 1968

Extended Properties

Molecular Formula C36H62O11
MW 670.88
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 2.41

Activity Summary

IC50 4 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
 IC50 7.05 7.05 90.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.21 6.21 610.0 1
LoVo
CHEMBL614721
 IC50 5.96 5.96 1090.0 1
BALB/3T3
CHEMBL613876
 IC50 4.68 4.68 20890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 90.0 nM 7.05 Antiproliferative activity against human MV4-11 cells 26338363
NON-PROTEIN TARGET IC50 = 610.0 nM 6.21 Antiproliferative activity against human LoVo/DX cells 26338363
LoVo IC50 = 1090.0 nM 5.96 Antiproliferative activity against human LoVo cells 26338363
BALB/3T3 IC50 = 20890.0 nM 4.68 Cytotoxicity against mouse BALB/3T3 cells 26338363

Literature References

PubMed DOI Target Context # Activities
22721714 10.1016/j.bmcl.2012.05.081 Staphylococcus aureus 20
20580137 10.1016/j.ejmech.2010.05.064 Staphylococcus aureus 20
18024584 10.1073/pnas.0709695104 H4 11
20580137 10.1016/j.ejmech.2010.05.064 Staphylococcus epidermidis 10
18375122 10.1016/j.bmcl.2008.03.038 Staphylococcus aureus 8
11602674 - ATP-dependent translocase ABCB1 7
1895303 10.1021/jm00113a024 Gallus gallus 7
18375122 10.1016/j.bmcl.2008.03.038 Micrococcus luteus 4
18375122 10.1016/j.bmcl.2008.03.038 Escherichia coli 3
18375122 10.1016/j.bmcl.2008.03.038 Pseudomonas aeruginosa 3
26338363 10.1016/j.bmcl.2015.08.067 Unchecked 3
23063400 10.1016/j.bmcl.2012.09.046 Rattus norvegicus 2
18375122 10.1016/j.bmcl.2008.03.038 Bacillus cereus 2
23063400 10.1016/j.bmcl.2012.09.046 Canis familiaris 2
18375122 10.1016/j.bmcl.2008.03.038 Candida albicans 2
26338363 10.1016/j.bmcl.2015.08.067 LoVo 2
23063400 10.1016/j.bmcl.2012.09.046 Unchecked 2
18375122 10.1016/j.bmcl.2008.03.038 Bacillus subtilis 2
18375122 10.1016/j.bmcl.2008.03.038 Staphylococcus epidermidis 2
18375122 10.1016/j.bmcl.2008.03.038 Enterococcus hirae 2

Data from ChEMBL 36 via Core Engine