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Compound Detail

CHEMBL1201346

BALSALAZIDE
💊 Approved Drug
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💊 Approved Drug
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201346
Name BALSALAZIDE
Phase Approved
Structure Type MOL
InChI Key IPOKCKJONYRRHP-FMQUCBEESA-N
Therapeutic ✓ Yes
Active Moiety CHEMBL704

Known Names

Balsalazida Balsalazide
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

357.3
MW (Da)
2.71
ALogP
6
HBA
4
HBD
148.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2000
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product Prodrug
USAN Stem -sal-
USAN Year 1994

Extended Properties

Molecular Formula C17H15N3O6
MW 357.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.50

ATC Classification

A07EC04
balsalazide
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS

Activity Summary

IC50 6 meas. best 5.41
EC50 3 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NAD-dependent protein deacylase sirtuin-5, mitochondrial
CHEMBL2163183
 IC50 5.41 5.345 3900.0 6
NAD-dependent protein deacylase sirtuin-5, mitochondrial
CHEMBL2163183
 EC50 5.06 5.06 8800.0 1
Glutaryl-CoA dehydrogenase, mitochondrial
CHEMBL3817721
 EC50 4.76 4.76 17300.0 1
Nucleoside diphosphate kinase, mitochondrial
CHEMBL4488
 EC50 4.34 4.34 45800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 3900.0 nM 5.41 Inhibition of SIRT5 (unknown origin) 32858418
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 3900.0 nM 5.41 Inhibition of SIRT5 (unknown origin) assessed as reduction in GGQSLKFGKG formati... 34461505
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 3900.0 nM 5.41 Inhibition of SIRT5 (unknown origin) desuccinylation activity 35802779
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 5300.0 nM 5.28 Inhibition of recombinant human SIRT5 using flour de lys succinyl as substrate i... 32858418
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 5300.0 nM 5.28 Inhibition of recombinant human Sirt5 incubated for 1 hr by FLUOR DE LYS fluorom... 35853430
NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 = 5300.0 nM 5.28 Inhibition of human SIRT5 36543033
NAD-dependent protein deacylase sirtuin-5, mitochondrial EC50 = 8800.0 nM 5.06 Binding affinity to Sirt5 in human MCF7 cell lysate by pull down assay based LC-... 35853430
Glutaryl-CoA dehydrogenase, mitochondrial EC50 = 17300.0 nM 4.76 Binding affinity to GCDH in human MCF7 cell lysate by pull down assay based LC-M... 35853430
Nucleoside diphosphate kinase, mitochondrial EC50 = 45800.0 nM 4.34 Binding affinity to NME4 in human MCF7 cell lysate by pull down assay based LC-M... 35853430

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 276
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
32858418 10.1016/j.ejmech.2020.112676 NAD-dependent protein deacylase sirtuin-5, mitochondrial 5
35853430 10.1016/j.ejmech.2022.114594 NAD-dependent protein deacylase sirtuin-5, mitochondrial 5
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
35853430 10.1016/j.ejmech.2022.114594 HeLa 1
34461505 10.1016/j.ejmech.2021.113803 NAD-dependent protein deacylase sirtuin-5, mitochondrial 1
32858418 10.1016/j.ejmech.2020.112676 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1
32858418 10.1016/j.ejmech.2020.112676 NAD-dependent protein deacetylase sirtuin-1 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine