EcoDrugPlus


Synonyms	Aminosalicylate potassium Paskalium Potassium aminosalicylate
Status
Molecule Category	Salt-form
UNII	7N21461LKD
EPA CompTox	DTXSID3059634

Synonyms

Aminosalicylate potassium

Paskalium

Potassium aminosalicylate

Status

Molecule Category

Salt-form

UNII

7N21461LKD

EPA CompTox

DTXSID3059634


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


InChI Key	PRZJIMSXCLZGLT-UHFFFAOYSA-M
Smiles	Nc1ccc(C(=O)[O-])c(O)c1.[K+]
InChI	InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1

InChI Key

PRZJIMSXCLZGLT-UHFFFAOYSA-M

Smiles

Nc1ccc(C(=O)[O-])c(O)c1.[K+]

InChI

InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1

Property Name	Value
Molecular Formula	C7H6KNO3
Molecular Weight	191.23
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

Property Name

Value

Molecular Formula

C7H6KNO3

Molecular Weight

191.23

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

Mechanism of Action	Action	Reference
Dihydrofolate reductase inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Dihydrofolate reductase inhibitor

INHIBITOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL1200584
FDA SRS	7N21461LKD
SureChEMBL	SCHEMBL1477512

Resources

Reference

ChEMBL

CHEMBL1200584

FDA SRS

7N21461LKD

SureChEMBL

SCHEMBL1477512


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).

AMINOSALICYLATE POTASSIUM

Structure

Physicochemical Descriptors

Bioactivity

Cross References