Iptacopan
4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Molecular Identity
Iptacopan
4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
PubChem CID: 90467622
Iptacopan is 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. It has a role as a complement factor B inhibitor and an immunomodulator. It is a member of benzoic acids, a member of indoles, a monocarboxylic acid, an ether, a member of piperidines, a diether and a tertiary amino compound. It is a conjugate base of an iptacopan(1+).
2D Structure
Properties
C25H30N2O4
Molecular Formula
422.50
Molecular Weight
g/mol
422.2206
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
74.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
594
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Iptacopan1644670-37-0LNP023LNP-023NVP-LNP023Iptacopan [INN]Iptacopan [USAN]NVP-LNP023-NX8E05T07Z6W4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acidUNII-8E05T07Z6WBenzoic acid, 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]-4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acidIPTACOPAN [WHO-DD]LNP 023
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iptacopan
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