UCSF

ZINC13808487

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 17 Yes

Popular Name: 1,2,3,4-Tetrahydro-6-methoxy-9-acridinamine; 9-Acridinamine, 1,2,3,4-tetrahydro-6-methoxy-; 9-Amino-6-methoxy-1,2,3,4-tetrahydroacridine; LS-14168 1,2,3,4-Tetrahydro-6-methoxy-9-a…

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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) 3.08 4.94 -24.72 3 3 1 49 229.303 1 ↓

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 350 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 350 0.53 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 350 0.53 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% )