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Chemical structure of Complement factor D-IN-1

GC31846

Complement factor D-IN-1

Also known as 1-[2-[(1R,3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

Complement factor D-IN-1 is a potent and selective small-molecule reversible factor d inhibitor, with IC50s of 0·006 and 0·05 μM in FD Thioesterolytic Fluorescent Assay and a MAC Deposition Assay, respectively

ChemicalCAS1386455-76-0MW483.32FormulaC21H19BrN6O3
CAS number
1386455-76-0
Molecular weight
483.32
Formula
C21H19BrN6O3
Solubility
DMSO: 250 mg/mL (517·26 mM)
InChIKey
CWZUTHDJLNZLCM-DFBGVHRSSA-N
Catalogue number
GC31846
Brand
GLPBIO
Computed properties PubChem CID 86673884 · XLogP 2.2 · TPSA 123 Ų · H-bond donors 2
XLogP
2.2
TPSA
123 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

SMILES C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N

Computed descriptors from PubChem (CID 86673884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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