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Compound Detail

CHEMBL3741066

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CCCOc1nccc2c(-c3cnc(-c4ccc(CO)nc4)s3)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741066
Phase Preclinical
Structure Type MOL
InChI Key AHCCZFIPLMGFCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.42
ALogP
7
HBA
2
HBD
96.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O2S
MW 367.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
26487916 10.1021/acsmedchemlett.5b00266 Staphylococcus aureus 3
26487916 10.1021/acsmedchemlett.5b00266 DNA gyrase subunit B 1
26487916 10.1021/acsmedchemlett.5b00266 Streptococcus pneumoniae 1
26487916 10.1021/acsmedchemlett.5b00266 Enterococcus faecium 1
26487916 10.1021/acsmedchemlett.5b00266 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine