Details of the Drug

General Information of Drug (ID: DMJV3AX)

Drug Name

IVA337

Synonyms

Lanifibranor; 927961-18-0; IVA-337; UNII-28Q8AG0PYL; 28Q8AG0PYL; CHEMBL4091374; CPD1537; 4-(1-(1,3-Benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic acid; 1H-Indole-2-butanoic acid, 1-(6-benzothiazolylsulfonyl)-5-chloro-; 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid; 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid; Lanifbranor; Libfranor; Lanifbranor [INN]; Lanifibranor(IVA-337); SCHEMBL3528615; AMY16813; EX-A1511; BDBM50244350; s8770; DB14801; SB18746; AC-31451; AK689102; BS-17993; HY-104049; CS-0027586; Q27896056; 1-(6-Benzothiazolylsulfonyl)-5-chloro-1H-indole-2-butanoic Acid; 5-Chloro-1-((6-benzothiazolyl)sulfonyl)-1H-indole-2-butanoic acid; 4-(1-(benzo[d]thiazol-6-ylsulfonyl)-5-chloro-1H-indol-2-yl)butanoic acid; BJB

Indication

Disease Entry	ICD 11	Status	REF
Non-alcoholic steatohepatitis	DB92.1	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

434.9

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H15ClN2O4S2
IUPAC Name: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2
InChI: InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
InChIKey: OQDQIFQRNZIEEJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 68677842
CAS Number: 927961-18-0
TTD ID: DX6RV3

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peroxisome proliferator-activated receptor (PPAR)	TTRMIZ7	PPARA_HUMAN ; PPARD_HUMAN ; PPARG_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03008070) Phase 2b Study in NASH to Assess IVA337 (NATIVE). U.S. National Institutes of Health.
2	Pan-PPAR agonist IVA337 is effective in experimental lung fibrosis and pulmonary hypertension. Ann Rheum Dis. 2017 Nov;76(11):1931-1940.