IPTACOPAN

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Synonyms
Status
Molecule Category Free-form
UNII 8E05T07Z6W

Structure

InChI Key RENRQMCACQEWFC-UGKGYDQZSA-N
Smiles 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

Mechanism of Action Action Reference
Complement factor B inhibitor 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 7.9 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 12-400 7.9 - -
Mus musculus
- 110 - - 60-100

Target Conservation

Protein: Complement factor B
Description: Complement factor B
Organism : Homo sapiens
P00751 ENSG00000241253

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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