UCSF

ZINC14967162

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 No

Popular Name: (6R,7aR)-6-hydroxy-2-(4-nitro-1-naphthyl)-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (6R,7aR)-6-hydroxy-2-(4-nitro-1-…

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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) 1.66 5.47 -16.71 1 8 0 107 327.296 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.49 Binding ≤ 10μM
ANDR-1-E Androgen Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 320 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 1.5 0.51 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1.5 0.51 Binding ≤ 10μM
ANDR_RAT P15207 Androgen Receptor, Rat 265 0.38 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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