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]
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) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
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
ChEBI ID
CHEMBL4091374
CAS Number
927961-18-0
UNII
28Q8AG0PYL
DrugBank ID
DB14801
TTD ID
DX6RV3
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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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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.