UCSF

ZINC01237308

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 11 Yes

Popular Name: 3-phenylpyrrolidine 3-phenylpyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1094670-20-8 , 851000-46-9 , 857281-02-8 , 936-44-7 , [857281-02-8] , [936-44-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.30 -0.68 -40.05 2 1 1 16 148.229 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5086074; US5128362; US5140040 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 486 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 486 0.80 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 486 0.80 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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