UCSF

ZINC03814244

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 27 Yes

Popular Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-N-(3-methoxyphenyl)-acetamide N-[2-(1-benzyl-4-piperidyl)ethyl…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 2.14 -52.89 1 4 1 33 367.513 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-5-E Acetylcholinesterase (cluster #5 Of 12), Eukaryotic Eukaryotes 46 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 46 0.38 Binding ≤ 1μM
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 46 0.38 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 46 0.38 Binding ≤ 10μM
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 46 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

Analogs ( Draw Identity 99% 90% 80% 70% )