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Chemical structure of Cedirogant

GC63458

Cedirogant

Also known as 2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid

Cedirogant (ABBV-157) is an orally active RORγt inverse agonist

ChemicalCAS2055496-11-0MW547.78FormulaC24H20Cl3F3N2O3
CAS number
2055496-11-0
Molecular weight
547.78
Formula
C24H20Cl3F3N2O3
Solubility
DMSO ： 250 mg/mL (456·39 mM; Need ultrasonic)
InChIKey
MNEOHCYSHVKLIC-UHFFFAOYSA-N
Catalogue number
GC63458
Brand
GLPBIO
Computed properties PubChem CID 124123797 · XLogP 6.1 · TPSA 62.5 Ų · H-bond donors 1
XLogP
6.1
TPSA
62.5 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

SMILES C1CN(CCC1CC(=O)O)C(=O)C2=C(C(=C(C=C2)Cl)CN3C=CC4=CC(=CC(=C43)Cl)C(F)(F)F)Cl

Computed descriptors from PubChem (CID 124123797), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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