UCSF

ZINC56727922

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 22 Yes

Popular Name: [(1R,2S,3S,5S)-8-methyl-2-(methylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl] [(1R,2S,3S,5S)-8-methyl-2-(methy…

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Annotations

Vendors

    None

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) 2.11 7.39 -41.73 2 5 1 60 303.382 4 ↓
Hi High (pH 8-9.5) 2.11 5 -9.24 1 5 0 59 302.374 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A3-2-E Dopamine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 3180 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 3180 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
Na+/Cl- dependent neurotransmitter transporters

Rings

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