UCSF

ZINC05998707

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 11 Yes

Popular Name: Isoxazolo[4,5-c]pyridine, 4,5,6,7-tetrahydro-3-methoxy- (9CI) Isoxazolo[4,5-c]pyridine, 4,5,6,…

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CAS Number: 95579-17-2

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) 0.37 -1.62 -47.87 2 4 1 51 155.177 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM3-3-E Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 5), Eukaryotic Eukaryotes 1800 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 1800 0.73 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
G alpha (q) signalling events
Muscarinic acetylcholine receptors

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

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