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Compound Detail

CHEMBL5194055

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C[N+](C)(C)CC(c1c[nH]c2cc(Br)ccc12)c1c2ccnc3c2c(c2nc(CS(=O)(=O)[O-])oc12)NC=C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194055
Phase Preclinical
Structure Type MOL
InChI Key XJFYSRYLJVKJAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

582.5
MW (Da)
4.90
ALogP
7
HBA
2
HBD
123.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H24BrN5O4S
MW 582.48
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
33153766 10.1016/j.ejmech.2020.112945 Aspergillus niger 1

Data from ChEMBL 36 via Core Engine