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Compound Detail

CHEMBL2074646

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O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2074646
Phase Preclinical
Structure Type MOL
InChI Key UETHPMGVZHBAFB-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
2.17
ALogP
8
HBA
2
HBD
195.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O10S2
MW 430.37
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
32652408 10.1016/j.ejmech.2020.112541 Molecular identity unknown 2
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 1 1
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 2 1

Data from ChEMBL 36 via Core Engine