UCSF

ZINC13452432

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 Yes

Popular Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one 1-[2-[4-[5-chloro-1-(4-fluorophe…

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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) 3.83 13.28 -48.82 2 5 1 42 439.942 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 10 0.36 Binding ≤ 10μM
DRD2-4-E Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2.3 0.39 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 10 0.36 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2.3 0.39 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 10 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
Voltage gated Potassium channels

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