UCSF

ZINC04234801

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 2-(5-methyl-2-furyl)pyrrolidine 2-(5-methyl-2-furyl)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Number: 118248-27-4

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) 1.56 4.42 -35.14 2 2 1 30 152.217 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0842178A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM2-5-E Muscarinic Acetylcholine Receptor M2 (cluster #5 Of 6), Eukaryotic Eukaryotes 3236 0.70 Binding ≤ 10μM
ACM2-5-E Muscarinic Acetylcholine Receptor M2 (cluster #5 Of 6), Eukaryotic Eukaryotes 4266 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 3235.93657 0.70 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Muscarinic acetylcholine receptors

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