UCSF

ZINC03641317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 36 Yes

Popular Name: 1,2,3,4-tetrahydroacridin-10-ium-9-yl-[6-(1,2,3,4-tetrahydroacridin-10-ium-9-ylamino)hexyl]amine 1,2,3,4-tetrahydroacridin-10-ium…

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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) 8.08 15.57 -57.18 4 4 2 52 480.7 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-2-E Acetylcholinesterase (cluster #2 Of 12), Eukaryotic Eukaryotes 4 0.33 Binding ≤ 10μM
CHLE-2-E Butyrylcholinesterase (cluster #2 Of 7), Eukaryotic Eukaryotes 83 0.28 Binding ≤ 10μM
Q9JKC1-1-E Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 119 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_RAT P37136 Acetylcholinesterase, Rat 1.4 0.34 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 1.4 0.34 Binding ≤ 1μM
Q9JKC1_RAT Q9JKC1 Butyrylcholinesterase, Rat 119 0.27 Binding ≤ 1μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 83 0.28 Binding ≤ 1μM
ACES_RAT P37136 Acetylcholinesterase, Rat 1.4 0.34 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 1.4 0.34 Binding ≤ 10μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 83 0.28 Binding ≤ 10μM
Q9JKC1_RAT Q9JKC1 Butyrylcholinesterase, Rat 119 0.27 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% )