UCSF

ZINC05833412

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 Yes

Popular Name: N 0734 hydrochloride N 0734 hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Number: 102121-01-7

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) 4.86 0.05 -43.59 2 2 1 24 316.49 6 ↓

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 2 0.55 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 72 0.45 Binding ≤ 10μM
EPYC-1-E Small Chondroitin/dermatan Sulfate Proteoglycan (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 9 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.62 0.59 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 24 0.48 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.82 0.56 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 72 0.45 Binding ≤ 1μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 0.14 0.63 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.62 0.59 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 24 0.48 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.82 0.56 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 72 0.45 Binding ≤ 10μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 0.14 0.63 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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