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Compound Detail

CHEMBL339310

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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc6c(cc5c4Cl)OCO6)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339310
Phase Preclinical
Structure Type MOL
InChI Key MUEVFTPBXALGJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

692.2
MW (Da)
4.53
ALogP
11
HBA
3
HBD
133.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34ClN7O6S
MW 692.20
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
12930152 10.1021/jm030097a Enterococcus faecalis 2
12930152 10.1021/jm030097a Unchecked 2
12930152 10.1021/jm030097a Staphylococcus aureus 1
12930152 10.1021/jm030097a Nucleic Acid 1
12930152 10.1021/jm030097a Bacillus cereus 1
12930152 10.1021/jm030097a Candida albicans 1
12930152 10.1021/jm030097a Mus musculus 1

Data from ChEMBL 36 via Core Engine