Structure

InChI Key CKMOQBVBEGCJGW-LLIZZRELSA-L
Smile O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]
InChI
InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H13N3Na2O6
Molecular Weight 401.29
AlogP 2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 148.65
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Arachidonate 5-lipoxygenase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
24.52
General disorders and administration site conditions
14.52
Injury, poisoning and procedural complications
9.05
Vascular disorders
5.95
Cardiac disorders
5.71
Musculoskeletal and connective tissue disorders
5.48
Immune system disorders
4.76
Nervous system disorders
4.29
Respiratory, thoracic and mediastinal disorders
4.05
Infections and infestations
3.33
Skin and subcutaneous tissue disorders
3.33
Investigations
3.1
Psychiatric disorders
2.86
Product issues
2.62

Cross References

Resources Reference
ChEMBL CHEMBL1200760
FDA SRS 15ASW03C9S
SureChEMBL SCHEMBL30360