UCSF

ZINC66122837

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 Yes

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-(p-tolylmethyl)isoindolin-1-one (3S)-3-(4-chlorophenyl)-3-[[1-(h…

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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) 5.12 13.58 -9.24 1 4 0 50 447.962 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MDM2_HUMAN Q00987 P53-binding Protein Mdm-2, Human 2300 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
AKT phosphorylates targets in the cytosol
Constitutive PI3K/AKT Signaling in Cancer
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
Stabilization of p53
Trafficking of AMPA receptors

Rings

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

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