UCSF

ZINC03821115

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 37 No

Popular Name: 3-(diphenylmethylene)-1-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}-2,5-pyrrolidinedione 3-(diphenylmethylene)-1-{4-[4-(4…

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Other Names:

MFCD03237133

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) 4.83 1.14 -46.66 1 5 1 45 498.622 8 ↓

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 3 0.32 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 52 0.28 Binding ≤ 10μM
DRD2-11-E Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic Eukaryotes 351 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 51 0.28 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 351 0.24 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 3.3 0.32 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 51 0.28 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 351 0.24 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 3.3 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

No pre-computed analogs available. Try a structural similarity search.