UCSF

ZINC04156199

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 23 No

Popular Name: [3-(trifluoromethyl)phenyl]BLAHdione [3-(trifluoromethyl)phenyl]BLAHd…

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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) 2.71 9.05 -10.54 0 3 0 37 321.298 2 ↓

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 66 0.44 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 100 0.43 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 100 0.43 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.4 0.57 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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