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Compound Detail

CHEMBL3421662

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O=C(Cc1cc(Br)cc(Br)c1OCCCN=C=S)Nc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3421662
Phase Preclinical
Structure Type MOL
InChI Key RFJQDRPZHFAPBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

529.2
MW (Da)
5.17
ALogP
6
HBA
1
HBD
93.8
PSA (Ų)
0.16
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 C18H15Br2N3O4S
MW 529.21
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
25699144 10.1021/ml500459f Pseudomonas aeruginosa 1
25699144 10.1021/ml500459f Transcriptional activator protein LasR 1
25699144 10.1021/ml500459f Unchecked 1

Data from ChEMBL 36 via Core Engine