UCSF

ZINC13534346

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 Yes

Popular Name: N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-oxo-fluorene-4-carboxamide N-[4-[4-(2,3-dichlorophenyl)pipe…

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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) 5.79 13.69 -56.87 2 5 1 54 509.457 7 ↓

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 5 0.33 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 1850 0.23 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 36 0.30 Functional ≤ 10μM
DRD2-17-E Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic Eukaryotes 89 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1.4 0.35 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 19.4 0.31 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.4 0.35 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 1.4 0.35 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1.4 0.35 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 19.4 0.31 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.4 0.35 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 1.4 0.35 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 1116 0.24 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 14.6 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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