MESALAMINE

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Trade Names:	APRISO ASACOL ASACOL HD CANASA DELZICOL LIALDA MESALAMINE PENTASA ROWASA SFROWASA
Synonyms:	Apriso Asacol Asacol hd Benzoic acid, 5-amino-2-hydroxy- Canasa Coltec ec Delzicol Fisalamine Iialda Ipocol Lialda MAX-002 Mesalamine Mesalazine Mesalazine Mesren mr Mezavant xl NSC-38877 Octasa Pentasa Pentasa sr Rowasa Salofalk Sfrowasa
Status:	Approved (1987)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	4Q81I59GXC

Structure


InChI Key	KBOPZPXVLCULAV-UHFFFAOYSA-N
Smile	Nc1ccc(O)c(C(=O)O)c1
InChI	InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/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	Arachidonate 5-lipoxygenase inhibitor	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	7530	-	-	18
Enzyme Transferase	-	280	-	-	-
Other cytosolic protein	-	12000	-	-	-
Secreted protein	-	20000	-	-	52
Unclassified protein	-	490-6000	-	-	49-87

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Diverticulitis	3	D004238	ClinicalTrials
Colitis, Collagenous	3	D046729	ClinicalTrials
Crohn Disease	3	D003424	ClinicalTrials
Diverticular Diseases	3	D000076385	ClinicalTrials
Irritable Bowel Syndrome	3	D043183	ClinicalTrials
Colitis, Lymphocytic	3	D046730	ClinicalTrials
Diverticulum, Colon	2	D004241	ClinicalTrials
Adenoma	2	D000236	ClinicalTrials
Colorectal Neoplasms, Hereditary Nonpolyposis	2	D003123	ClinicalTrials
Colorectal Neoplasms	2	D015179	ClinicalTrials
Colitis	2	D003092	ClinicalTrials
Malnutrition	1	D044342	ClinicalTrials
Berylliosis	1	D001607	ClinicalTrials
HIV Infections	1	D015658	ClinicalTrials

Related Entries

MCS

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend :

Indication

Mechanism of Action

Primary Target

Target Level

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
Gastrointestinal disorders	17.91
General disorders and administration site conditions	16.17
Injury, poisoning and procedural complications	10.58
Respiratory, thoracic and mediastinal disorders	6.06
Vascular disorders	5.34
Immune system disorders	5.28
Cardiac disorders	4.92
Skin and subcutaneous tissue disorders	4.3
Investigations	3.87
Nervous system disorders	3.49
Musculoskeletal and connective tissue disorders	3.09
Infections and infestations	3.0
Blood and lymphatic system disorders	2.73
Psychiatric disorders	2.42
Metabolism and nutrition disorders	2.42
Renal and urinary disorders	2.35

Cross References

Resources	Reference
CAS NUMBER	89-57-6
ChEBI	6775
ChEMBL	CHEMBL704
DrugBank	DB00244
DrugCentral	1710
EPA CompTox	DTXSID5024506
FDA SRS	4Q81I59GXC
Human Metabolome Database	HMDB0014389
Guide to Pharmacology	2700
PharmGKB	PA450384
PubChem	4075
SureChEMBL	SCHEMBL18038934
ZINC	ZINC000000001688

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