UCSF

ZINC40865778

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 Yes

Popular Name: DNC009350 DNC009350

Find On: PubMed — Wikipedia — Google

Other Names:

PF-0998425

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) 3.73 6.63 -6.62 1 2 0 44 269.266 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-4-E Androgen Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
ANDR-3-E Androgen Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 90 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 26 0.56 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 26 0.56 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 90 0.52 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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