CHEBI:229654 - iptacopan hydrochloride monohydrate

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ChEBI Name iptacopan hydrochloride monohydrate
ChEBI ID CHEBI:229654
Definition The monohydrate form of iptacopan hydrochloride. It is a complement factor B inhibitor approved for the treatment of adults with paroxysmal nocturnal hemoglobinuria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H30N2O4.H2O.ClH
Net Charge 0
Average Mass 477.000
Monoisotopic Mass 476.20780
InChI InChI=1S/C25H30N2O4.ClH.H2O/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3;;/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29);1H;1H2/t19-,22-;;/m0../s1
InChIKey JUWBBUFSAGEROP-VVJLZRNGSA-N
SMILES O.Cl.[H][C@]1(C[C@H](CCN1CC1=C(OC)C=C(C)C2=C1C=CN2)OCC)C1=CC=C(C=C1)C(O)=O
Roles Classification
Biological Role(s): complement factor B inhibitor
Any inhibitor of complement factor B.
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
Application(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing iptacopan hydrochloride monohydrate (CHEBI:229654) has part iptacopan hydrochloride (CHEBI:229653)
iptacopan hydrochloride monohydrate (CHEBI:229654) has role complement factor B inhibitor (CHEBI:229655)
iptacopan hydrochloride monohydrate (CHEBI:229654) has role immunomodulator (CHEBI:50846)
iptacopan hydrochloride monohydrate (CHEBI:229654) is a hydrate (CHEBI:35505)
IUPAC Name
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid hydrochloride hydrate
Synonyms Sources
(2S,4S)-2-(4-Carboxyphenyl)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-1-ium chloride—water (1/1) ChEBI
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid—hydrogen chloride—water (1/1/1) IUPAC
iptacopan hydrochloride hydrate KEGG DRUG
LNP 023 hydrochloride monohydrate ChEBI
LNP-023 hydrochloride monohydrate DrugBank
LNP-023-AAB DrugBank
LNP023 hydrochloride monohydrate ChEBI
LNP023-AAB DrugBank
Brand Name Source
Fabhalta DrugBank
Manual Xrefs Databases
D12252 KEGG DRUG
DBSALT003493 DrugBank
View more database links
Registry Number Type Source
2447007-60-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
38517653 PubMed citation Europe PMC
Last Modified
16 April 2024