UCSF

ZINC02008410

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) 4.96 11.52 -41.61 2 2 1 25 362.537 1
Hi High (pH 8-9.5) 4.96 9.25 -3.85 1 2 0 23 361.529 1

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 2 0.45 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.44 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 2 0.45 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.45 Binding ≤ 10μM
SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3600 0.28 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3600 0.28 Binding ≤ 10μM
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3600 0.28 Binding ≤ 10μM
SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3600 0.28 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.41 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.41 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.41 Functional ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.41 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.41 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 2 0.45 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 5012 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 12 0.41 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.5 0.48 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.5 0.48 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 12 0.41 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 12 0.41 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 12 0.41 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 12 0.41 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.5 0.48 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.5 0.48 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 12 0.41 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 12 0.41 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 12 0.41 Binding ≤ 10μM
SCN1A_HUMAN P35498 Sodium Channel Protein Type I Alpha Subunit, Human 3600 0.28 Binding ≤ 10μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 3600 0.28 Binding ≤ 10μM
SCN3A_HUMAN Q9NY46 Sodium Channel Protein Type III Alpha Subunit, Human 3600 0.28 Binding ≤ 10μM
SCN8A_HUMAN Q9UQD0 Sodium Channel Protein Type VIII Alpha Subunit, Human 3600 0.28 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 12 0.41 Functional ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 12 0.41 Functional ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 12 0.41 Functional ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 12 0.41 Functional ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 12 0.41 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1995.26231 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
Interaction between L1 and Ankyrins

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