UCSF

ZINC03870332

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) 3.18 6.87 -44.81 3 3 1 45 296.39 3
Mid Mid (pH 6-8) 3.18 4.84 -6.74 2 3 0 44 295.382 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.52 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 12 0.50 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.48 Functional ≤ 10μM
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 7943 0.32 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 1415 0.37 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 2425 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 12 0.50 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 8.1 0.51 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 12 0.50 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 8.1 0.51 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1415 0.37 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 25 0.48 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 7943.28235 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events

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

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