UCSF

ZINC03978019

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 29 No

Popular Name: CYPROTERONE ACETATE CYPROTERONE ACETATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 427-51-0 , [427-51-0]

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) 4.44 12.43 -17.46 0 4 0 60 416.945 3 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antiandrogen SMDC Pharmakon

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 5 0.40 Binding ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.43 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 61 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 22 0.37 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 0.9 0.44 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 22 0.37 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 0.9 0.44 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 61 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Nuclear Receptor transcription pathway

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