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Compound Detail

CHEMBL5271881

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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL5271881
Phase Preclinical
Structure Type MOL
InChI Key ZHHMOHGCVNSHJF-ABYARXGNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

716.8
MW (Da)
0.73
ALogP
7
HBA
11
HBD
273.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H48N10O6
MW 716.84
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness 0.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27021004 10.1016/j.bmc.2016.03.018 Unchecked 1
27021004 10.1016/j.bmc.2016.03.018 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine