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Compound Detail

CHEMBL5280148

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CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)NCCCNC(C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL5280148
Phase Preclinical
Structure Type MOL
InChI Key JJBWEBWBMNYISO-INIAQYQMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1070.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H83N11O16
MW 1070.25

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 740.0 nM 6.13 Inhibition of Bacterial MraY 27607900

Literature References

PubMed DOI Target Context # Activities
27607900 10.1021/acs.jmedchem.6b00325 HepG2 1
27607900 10.1021/acs.jmedchem.6b00325 Enterococcus faecalis 1
27607900 10.1021/acs.jmedchem.6b00325 Staphylococcus aureus 1
27607900 10.1021/acs.jmedchem.6b00325 Unchecked 1

Data from ChEMBL 36 via Core Engine