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Compound Detail

CHEMBL2396875

ANOPLIN
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2396875
Name ANOPLIN
Phase Preclinical
Structure Type BOTH
InChI Key DVIZFGMNPXYEKS-OEOXEQAESA-N
0
Targets
1
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names

Molecular Properties

1153.5
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H104N16O11
MW 1153.53

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.236 hr Mus musculus
T1/2 0.2 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
31466017 10.1016/j.ejmech.2019.111636 Escherichia coli 25
31466017 10.1016/j.ejmech.2019.111636 Staphylococcus aureus 11
34180670 10.1021/acs.jmedchem.1c00614 Klebsiella pneumoniae 8
34180670 10.1021/acs.jmedchem.1c00614 Staphylococcus aureus 7
34180670 10.1021/acs.jmedchem.1c00614 ADMET 6
33844923 10.1021/acs.jmedchem.0c02237 4T1 5
34180670 10.1021/acs.jmedchem.1c00614 Cell membrane 5
34180670 10.1021/acs.jmedchem.1c00614 Escherichia coli 5
33844923 10.1021/acs.jmedchem.0c02237 B16-F10 4
34180670 10.1021/acs.jmedchem.1c00614 Pseudomonas aeruginosa 4
23719232 10.1016/j.bmcl.2013.05.002 ADMET 3
31466017 10.1016/j.ejmech.2019.111636 Klebsiella pneumoniae 3
31466017 10.1016/j.ejmech.2019.111636 Pseudomonas aeruginosa 3
34180670 10.1021/acs.jmedchem.1c00614 Bacteria 3
23719232 10.1016/j.bmcl.2013.05.002 No relevant target 2
33844923 10.1021/acs.jmedchem.0c02237 ADMET 2
31466017 10.1016/j.ejmech.2019.111636 Unchecked 2
34180670 10.1021/acs.jmedchem.1c00614 Enterococcus faecalis 1
34180670 10.1021/acs.jmedchem.1c00614 Bacillus subtilis 1
31466017 10.1016/j.ejmech.2019.111636 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine