IPTACOPAN

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 8E05T07Z6W

Structure
InChI Key RENRQMCACQEWFC-UGKGYDQZSA-N
Smile CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N2O4
Molecular Weight 422.53
AlogP 4.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 74.79
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Complement factor B inhibitor Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 110 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 12-400 8 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glomerulonephritis, IGA 3 D005922 ClinicalTrials
Hemoglobinuria, Paroxysmal 3 D006457 ClinicalTrials
Atypical Hemolytic Uremic Syndrome 3 D065766 ClinicalTrials
Glomerulonephritis, Membranous 2 D015433 ClinicalTrials
Glomerulonephritis 2 D005921 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594448
FDA SRS 8E05T07Z6W
Guide to Pharmacology 10710
PDB JGQ
PubChem 90467622
SureChEMBL SCHEMBL16400416
ZINC ZINC000223246892
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