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Chemical structure of IL-17A antagonist 1

GC34372

IL-17A antagonist 1

Also known as N-[(2S)-1-[4-[2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]amino]ethyl]anilino]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

IL-17A antagonist 1 (compound 1) is an IL-17A antagonist, with a Kd of 0·66 μM and an IC50 of 1·14 μM

ChemicalCAS2205034-18-8MW604.71FormulaC33H41FN6O4
CAS number
2205034-18-8
Molecular weight
604.71
Formula
C33H41FN6O4
Solubility
DMSO : 41·67 mg/mL (68·91 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VWRXSIAIHJZTCV-MHZLTWQESA-N
Catalogue number
GC34372
Brand
GLPBIO
Computed properties PubChem CID 121499148 · XLogP 3.8 · TPSA 125 Ų · H-bond donors 3
XLogP
3.8
TPSA
125 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
44

SMILES CN1C(=CC=N1)C(=O)N[C@@H](CC2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C

Computed descriptors from PubChem (CID 121499148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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