UCSF

ZINC00039112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 No

Popular Name: oxidopamine hydrochloride oxidopamine hydrochloride

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CAS Numbers: 1199-18-4 , 28094-15-7 , 636-00-0

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) -0.13 -4.44 -48.96 6 4 1 88 170.188 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity >90% Fluorochem
Therapy adrenergic agonist (opthalmic) SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G3P-2-E Glyceraldehyde-3-phosphate Dehydrogenase Liver (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.59 Binding ≤ 10μM
Q9WTR4-2-E Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic Eukaryotes 51 0.85 Binding ≤ 10μM
SC6A3-3-E Dopamine Transporter (cluster #3 Of 3), Eukaryotic Eukaryotes 12 0.92 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 12 0.92 Binding ≤ 1μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 51 0.85 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 12 0.92 Binding ≤ 10μM
G3P_HUMAN P04406 Glyceraldehyde-3-phosphate Dehydrogenase Liver, Human 8000 0.59 Binding ≤ 10μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 51 0.85 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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