UCSF

ZINC03785159

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 17 Yes

Popular Name: DNC003652 DNC003652

Find On: PubMed — Wikipedia — Google

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) 3.42 9.88 -41.85 1 2 1 28 229.347 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 249 0.54 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 249 0.54 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 520 0.52 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.41 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 1140 0.49 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 4900 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 119 0.57 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 119 0.57 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 396 0.53 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 249 0.54 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 520 0.52 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1140 0.49 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 119 0.57 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 119 0.57 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 249 0.54 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 2200 0.47 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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