LEI-401   Click here for help

GtoPdb Ligand ID: 11054

Synonyms: LEI401
Compound class: Synthetic organic
Comment: LEI-401 is a potent, selective and brain-penetrant inhibitor of N-Acylphosphatidylethanolamine-phospholipase D (NAPE-PLD) [1]. It inhibits NAPE-PLD-mediated N-acylethanolamine (NAE) biosynthesis in vitro and in vivo, an effect that mimics the activity of a cannabinoid CB1 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 81.59
Molecular weight 421.25
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1
Isomeric SMILES O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1
InChI InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1
InChI Key GFHJYPQZBBHOCC-UXHICEINSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
Synonyms Click here for help
LEI401
Database Links Click here for help
GtoPdb PubChem SID 405560495
PubChem CID 145998143
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