danicopan   Click here for help

GtoPdb Ligand ID: 11988

Synonyms: ACH-4471 | ACH4471 | Voydeya®
Approved drug
danicopan is an approved drug (Japan (2024), FDA (2024))
Compound class: Synthetic organic
Comment: Danicopan (ACH-4471) is an oral, direct inhibitor of the protease activity of complement factor D [1,5-6], which is a component of the alternative complement pathway. It was originally developed for potential to control complement-mediated intravascular hemolysis and prevent C3-mediated extravascular hemolysis in patients with paroxysmal nocturnal hemoglobinuria [4].

COVID-19: Danicoplan is being included in the ACTIV-5 platform trial NCT04988035 that is designed to identify promising agents as potential COVID-19 therapeutics that are suitable for progression to more definitive studies. It is initially being tested as a monotherapy and in combination with remdesivir in hospitalised COVID-19 patients.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 122.97
Molecular weight 579.1
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES F[C@H]1CN([C@@H](C1)C(=O)Nc1cccc(n1)Br)C(=O)Cn1nc(c2c1ccc(c2)c1cnc(nc1)C)C(=O)C
Isomeric SMILES Cc1ncc(cn1)c1cc2c(cc1)n(nc2C(=O)C)CC(=O)N1C[C@@H](C[C@H]1C(=O)Nc1nc(ccc1)Br)F
InChI InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
InChI Key PIBARDGJJAGJAJ-NQIIRXRSSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2024), FDA (2024))
International Nonproprietary Names Click here for help
INN number INN
10610 danicopan
Synonyms Click here for help
ACH-4471 | ACH4471 | Voydeya®
Database Links Click here for help
BindingDB Ligand 354268
CAS Registry No. 1903768-17-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL4250860
DrugBank Ligand DB15401
GtoPdb PubChem SID 464244129
PubChem CID 118323590
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