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Compound Detail

CHEMBL4463659

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O=S(=O)([O-])c1ccc2[nH]c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2c1.[Na+].[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL4463659
Phase Preclinical
Structure Type MOL
InChI Key YAWFNJWRAVOYLO-UHFFFAOYSA-K
Parent Compound CHEMBL4595383
Active Moiety CHEMBL4595383
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
1.06
ALogP
6
HBA
4
HBD
178.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H6NNa3O9S3
MW 473.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.30

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine