UCSF

ZINC64550017

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 No

Popular Name: 5-[3-(3-chloro-4-cyano-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]pyridine-3-sulfonamide 5-[3-(3-chloro-4-cyano-phenyl)-5…

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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) 2.29 5.63 -17.34 2 8 0 120 435.918 3 ↓
Hi High (pH 8-9.5) 2.29 6.12 -43.88 1 8 -1 118 434.91 3 ↓

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 3), Eukaryotic Eukaryotes 50 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 2000 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

Rings

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

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