UCSF

ZINC38140590

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 18 Yes

Popular Name: dimethyl-[[(7R,8S)-8-phenyl-7-bicyclo[2.2.2]octanyl]methyl]azaniumchloride dimethyl-[[(7R,8S)-8-phenyl-7-bi…

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CAS Number: 62374-18-9

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) 4.33 10.44 -29.05 1 1 1 4 244.402 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 980 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 191 0.52 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 191 0.52 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

No pre-computed analogs available. Try a structural similarity search.