BALSALAZIDE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: A07EC04
UNII: P80AL8J7ZP

Structure
InChI Key IPOKCKJONYRRHP-FMQUCBEESA-N
Smile O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
InChI
InChI=1S/C17H15N3O6/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)/b20-19+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15N3O6
Molecular Weight 357.32
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 39220 - - 1.794
Enzyme Oxidoreductase
17300 - - - -
Enzyme Transferase
45800 - - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class III
8800 3900-5300 - - 11-11

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 80573-04-2
ChEBI 267413
ChEMBL CHEMBL1201346
DrugBank DB01014
DrugCentral 284
EPA CompTox DTXSID7040653
FDA SRS P80AL8J7ZP
Human Metabolome Database HMDB15149
SureChEMBL SCHEMBL118300
ZINC ZINC000003952881
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