AMINOSALICYLIC ACID


Trade Names	PARASAL PASER
Synonyms	4-aminosalicylic acid Aminosalicylate Aminosalicylic Acid Aminosalicylic acid Aminosalicylic acid resin complex Benzoic acid, 4-amino-2-hydroxy- Granupas NSC-2083 P-aminosalicylic acid Para-aminosalicylic acid Parasal Pas Paser Paskalium Rezipas Teebacin
Status
Molecule Category	Free-form
UNII	5B2658E0N2
EPA CompTox	DTXSID2022591


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	WUBBRNOQWQTFEX-UHFFFAOYSA-N
Smiles	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

Mechanism of Action	Action	Reference
Dihydrofolate reductase inhibitor	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	-	-	-	-

Related Entries

Cross References

Resources	Reference
ChEBI	27565
ChEMBL	CHEMBL1169
DrugBank	DB00233
DrugCentral	2050
FDA SRS	5B2658E0N2
Human Metabolome Database	HMDB0014378
KEGG	C02518
PDB	BHA
PharmGKB	PA448382
PubChem	4649
SureChEMBL	SCHEMBL2262
ZINC	ZINC000000000922

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).