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Chemical structure of Nelotanserin

GC30796

Nelotanserin

Also listed as Nelotanserin (APD125)

Nelotanserin (APD125) is a potent 5-HT2A inverse agonist, a moderately potent 5-HT2C partial inverse agonist and a weak 5-HT2B inverse agonist, with IC50s of 1·7, 79, 791 nM in IP accumulation assays, respectively

ChemicalCAS839713-36-9MW437.24FormulaC18H15BrF2N4O2
CAS number
839713-36-9
Molecular weight
437.24
Formula
C18H15BrF2N4O2
Solubility
DMSO ： ≥ 32 mg/mL (73·19 mM)
InChIKey
COSPVUFTLGQDQL-UHFFFAOYSA-N
Catalogue number
GC30796
Brand
GLPBIO
Computed properties PubChem CID 11683556 · XLogP 3.3 · TPSA 68.2 Ų · H-bond donors 2
XLogP
3.3
TPSA
68.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

SMILES CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)F)F)OC

Computed descriptors from PubChem (CID 11683556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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