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Chemical structure of LML134

GC38450

LML134

Also known as [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

LML134 (compound 18b) is an orally active and high selective Histamine 3 receptor (H3R) inverse agonist with Kis of 0·3 nM and 12 nM for hH3R cAMP and hH3R bdg

ChemicalCAS1542135-76-1MW375.47FormulaC19H29N5O3
CAS number
1542135-76-1
Molecular weight
375.47
Formula
C19H29N5O3
Solubility
DMSO： 12·5 mg/mL (33·29 mM)
InChIKey
BVUJMFFRMZRNAT-UHFFFAOYSA-N
Catalogue number
GC38450
Brand
GLPBIO
Computed properties PubChem CID 72948400 · XLogP 0.6 · TPSA 68.7 Ų · H-bond donors 0
XLogP
0.6
TPSA
68.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

SMILES CN1C(=O)C=CC(=N1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4

Computed descriptors from PubChem (CID 72948400), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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