UCSF

ZINC13492912

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 15 Yes

Popular Name: DNC012295 DNC012295

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) 3.69 9.45 -34.1 1 1 1 4 204.337 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 2050 0.53 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 222 0.62 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 777 0.57 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 222 0.62 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 222 0.62 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 39 0.69 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 1490 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 222 0.62 Binding ≤ 1μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 39 0.69 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 222 0.62 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 222 0.62 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 222 0.62 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 222 0.62 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 222 0.62 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 39 0.69 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 222 0.62 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1490 0.54 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 222 0.62 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 222 0.62 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 222 0.62 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 2050 0.53 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% )