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Compound Detail

CHEMBL129128

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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCSCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129128
Phase Preclinical
Structure Type MOL
InChI Key NIOVASIMUWEVKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

657.2
MW (Da)
3.95
ALogP
10
HBA
4
HBD
134.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33ClN8O4S2
MW 657.22
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.29

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