Ximelegatran
4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
Molecular Identity
Ximelegatran
4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID: 448042
Y-27632 is a monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of pyridines, a monocarboxylic acid amide and a primary amino compound.
2D Structure
Properties
C14H21N3O
Molecular Formula
247.34
Molecular Weight
g/mol
247.1685
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
68
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
268
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
XimelegatranRefChem:1101091146986-50-7y-27632Y-27632 dihydrochlorideY27632Y 276324-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamidecyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans-(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide0X370ROP6H(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDEMFCD03093855
Data from PubChem (NCBI)
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