Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JM8C1SFX0U

Structure

InChI Key PIBARDGJJAGJAJ-NQIIRXRSSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemoglobinuria, Paroxysmal 3 D006457 ClinicalTrials
Glomerulonephritis, Membranoproliferative 2 D015432 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Cross References

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