UCSF

ZINC01544683

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 34 Yes

Popular Name: Arzoxifene Arzoxifene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 182133-25-1 , 182133-27-3

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) 7.05 -0.41 -39.75 2 5 1 52 476.618 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic Eukaryotes 22 0.32 Binding ≤ 10μM
ESR2-1-E Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 66 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 21.5 0.32 Binding ≤ 1μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 66.3 0.30 Binding ≤ 1μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 21.5 0.32 Binding ≤ 10μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 66.3 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

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