CHEBI:229652 - iptacopan

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ChEBI Name iptacopan
ChEBI ID CHEBI:229652
Definition A member of the class of indoles that is 1H-indole substituted by [(2S,4S)-2-(4-carboxyphenyl)-4-ethoxypiperidin-1-yl]methyl, methoxy, and methyl groups at positions 4, 5, and 6, respectively. It is a potent inhibitor of complement factor B (IC50 = 10nM) with potential immunomodulatory activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H30N2O4
Net Charge 0
Average Mass 422.525
Monoisotopic Mass 422.22056
InChI InChI=1S/C25H30N2O4/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)/t19-,22-/m0/s1
InChIKey RENRQMCACQEWFC-UGKGYDQZSA-N
SMILES [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
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
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ChEBI Ontology
Outgoing iptacopan (CHEBI:229652) has role complement factor B inhibitor (CHEBI:229655)
iptacopan (CHEBI:229652) has role immunomodulator (CHEBI:50846)
iptacopan (CHEBI:229652) is a benzoic acids (CHEBI:22723)
iptacopan (CHEBI:229652) is a diether (CHEBI:46786)
iptacopan (CHEBI:229652) is a ether (CHEBI:25698)
iptacopan (CHEBI:229652) is a indoles (CHEBI:24828)
iptacopan (CHEBI:229652) is a monocarboxylic acid (CHEBI:25384)
iptacopan (CHEBI:229652) is a piperidines (CHEBI:26151)
iptacopan (CHEBI:229652) is a tertiary amino compound (CHEBI:50996)
iptacopan (CHEBI:229652) is conjugate base of iptacopan(1+) (CHEBI:229656)
Incoming iptacopan(1+) (CHEBI:229656) is conjugate acid of iptacopan (CHEBI:229652)
IUPAC Name
4-{(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl}benzoic acid
INNs Sources
iptacopan WHO MedNet
iptacopán WHO MedNet
iptacopan WHO MedNet
iptacopanum WHO MedNet
Synonyms Sources
LNP 023 DrugBank
LNP-023 DrugBank
LNP023 DrugBank
NVP-LNP023 DrugBank
Manual Xrefs Databases
D12251 KEGG DRUG
DB16200 DrugBank
Iptacopan Wikipedia
JGQ PDBeChem
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Registry Number Type Source
1644670-37-0 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
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Last Modified
16 April 2024