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Compound Detail

CHEMBL1221911

LACTIMIDOMYCIN
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C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C=C\[C@@H]1C

Basic Information

ChEMBL ID CHEMBL1221911
Name LACTIMIDOMYCIN
Phase Preclinical
Structure Type MOL
InChI Key OYOKHBHOTQDIPM-BRHOHSSQSA-N
4
Targets
12
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.34
ALogP
6
HBA
2
HBD
109.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H35NO6
MW 457.57
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.93

Activity Summary

IC50 9 meas. best 8.34
EC50 2 meas. best 6.4
Kd 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Saccharomyces cerevisiae
CHEMBL361
IC50 8.34 6.55 4.6 8
HeLa
CHEMBL399
IC50 7.42 7.42 37.8 1
dengue virus type 2
CHEMBL613966
EC50 6.4 6.4 400.0 2
Unchecked
CHEMBL612545
Kd 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Saccharomyces cerevisiae IC50 = 4.6 nM 8.34 Antimicrobial activity against Saccharomyces cerevisiae J47alpha 20118940
HeLa IC50 = 37.82 nM 7.42 Inhibition of protein synthesis in human HeLa cells assessed as [35S]cysteine/me... 20118940
Saccharomyces cerevisiae IC50 = 58.0 nM 7.24 Antimicrobial activity against Saccharomyces cerevisiae JB503 20118940
Saccharomyces cerevisiae IC50 = 59.0 nM 7.23 Antimicrobial activity against Saccharomyces cerevisiae JB281 20118940
dengue virus type 2 EC50 = 400.0 nM 6.4 Antiviral activity against DENV2 infected in human Huh-7 cells 31128447
dengue virus type 2 EC50 = 400.0 nM 6.4 Antiviral activity against DENV2 16681 infected in human Huh7 cells by luciferas... 31128447
Saccharomyces cerevisiae IC50 = 488.0 nM 6.31 Antimicrobial activity against Saccharomyces cerevisiae BY108 20118940
Unchecked Kd = 500.0 nM 6.3 Binding affinity to 60S ribosome E-site by footprinting assay 20118940
Saccharomyces cerevisiae IC50 = 596.0 nM 6.22 Antimicrobial activity against Saccharomyces cerevisiae BY686 expressing ribosom... 20118940
Saccharomyces cerevisiae IC50 = 1108.0 nM 5.96 Antimicrobial activity against Saccharomyces cerevisiae J407alpha expressing rib... 20118940
Saccharomyces cerevisiae IC50 = 1209.0 nM 5.92 Antimicrobial activity against Saccharomyces cerevisiae BY740 expressing ribosom... 20118940
Saccharomyces cerevisiae IC50 = 6533.0 nM 5.18 Antimicrobial activity against Saccharomyces cerevisiae BY724 expressing ribosom... 20118940

Literature References

Data from ChEMBL 36 via Core Engine