UCSF

ZINC13492908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 16 Yes

Popular Name: DNC012284 DNC012284

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) 4.12 10.23 -34.01 1 1 1 4 218.364 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1200 0.52 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 430 0.56 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 573 0.55 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 430 0.56 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.56 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 42 0.65 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 930 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 430 0.56 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 430 0.56 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 930 0.53 Binding ≤ 1μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 42 0.65 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 430 0.56 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 430 0.56 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 430 0.56 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 430 0.56 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 930 0.53 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 42 0.65 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 430 0.56 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 430 0.56 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 430 0.56 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 430 0.56 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 1200 0.52 Binding ≤ 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% )