Details of the Drug

General Information of Drug (ID: DM4Z1CH)

Drug Name

4-aminosalicylate sodium

Synonyms

AGI-022; Salicylate prodrug (oralcontrolled release, ulcerative colitis), AGI Therapeutics; 4-ASA-Na; 4-ASA-Na (oral, controlled release), AGI Therapeutics

Indication

Disease Entry	ICD 11	Status	REF
Inflammatory bowel disease	DD72	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

175.12

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C7H6NNaO3
IUPAC Name: sodium;4-amino-2-hydroxybenzoate
Canonical SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].[Na+]
InChI: InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
InChIKey: FVVDKUPCWXUVNP-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 2724368
CAS Number: 10-8
TTD ID: D0Q3QS

Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800022712)
2	5-aminosalicylic acid mediates expression of cyclooxygenase-2 and 15-hydroxyprostaglandin dehydrogenase to suppress colorectal tumorigenesis. Anticancer Res. 2012 Apr;32(4):1193-202.