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Compound Detail

CHEMBL4172438

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C[C@@H](O)[C@H](NC(=O)CCCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN)[C@@H](C)O

Basic Information

ChEMBL ID CHEMBL4172438
Phase Preclinical
Structure Type MOL
InChI Key ANVGVTDRJQDASL-XSOCUFIGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1221.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H100N20O12
MW 1221.52

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Escherichia coli
CHEMBL354
IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Escherichia coli IC50 = 620.0 nM 6.21 Inhibition of bacterial protein synthesis in cell-free Escherichia coli incubate... 30086230

Literature References

PubMed DOI Target Context # Activities
30086230 10.1021/acs.jmedchem.8b00790 Escherichia coli 2
30086230 10.1021/acs.jmedchem.8b00790 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine