AMINOSALICYLIC ACID

Search structure
Trade Names:
Synonyms:
Pas
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 5B2658E0N2

Structure
InChI Key WUBBRNOQWQTFEX-UHFFFAOYSA-N
Smile Nc1ccc(C(=O)O)c(O)c1
InChI
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7NO3
Molecular Weight 153.14
AlogP 0.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 83.55
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydrofolate reductase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 15
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - - 30
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - -
Enzyme
- - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Investigations
14.75
Gastrointestinal disorders
13.11
Metabolism and nutrition disorders
13.11
Infections and infestations
6.56
Injury, poisoning and procedural complications
6.56
Nervous system disorders
6.56
Renal and urinary disorders
6.56
Blood and lymphatic system disorders
4.92
Eye disorders
4.92
General disorders and administration site conditions
4.92
Endocrine disorders
3.28
Musculoskeletal and connective tissue disorders
3.28
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.28
Psychiatric disorders
3.28
Respiratory, thoracic and mediastinal disorders
3.28

Cross References

Resources Reference
CAS NUMBER 65-49-6
ChEBI 27565
ChEMBL CHEMBL1169
DrugBank DB00233
DrugCentral 2050
EPA CompTox DTXSID2022591
FDA SRS 5B2658E0N2
Human Metabolome Database HMDB0014378
KEGG C02518
PDB BHA
PharmGKB PA448382
PubChem 4649
SureChEMBL SCHEMBL2262
ZINC ZINC000000000922
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