DANICOPAN

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Synonyms
Status
Molecule Category Free-form
UNII JM8C1SFX0U

Structure

InChI Key PIBARDGJJAGJAJ-NQIIRXRSSA-N
Smiles CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H23BrFN7O3
Molecular Weight 580.42
AlogP 3.74
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 122.97
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Complement factor D inhibitor INHIBITOR Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease
- 4-15 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4-15 - - -

Target Conservation

Protein: Complement factor D
Description: Complement factor D
Organism : Homo sapiens
P00746 ENSG00000197766

Cross References

Resources Reference
ChEMBL CHEMBL4250860
DrugBank DB15401
FDA SRS JM8C1SFX0U
PubChem 118323590
SureChEMBL SCHEMBL17024981
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