UCSF

ZINC28824543

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 34 No

Popular Name: 10-[(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr 10-[(7R,8R,9S,10R,13S,14S,17S)-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) 7.11 13.74 -53.5 1 4 -1 77 471.702 10 ↓
Lo Low (pH 4.5-6) 7.11 12.62 -13.95 2 4 0 75 472.71 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 600 0.26 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 600 0.26 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 600 0.26 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 2000 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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