UCSF

ZINC29475770

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 33 No

Popular Name: DNC003727 DNC003727

Find On: PubMed — Wikipedia — Google

Other Names:

ONAPRISTONE

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) 4.53 9.42 -13.36 2 4 0 61 449.635 5 ↓

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 269 0.28 Binding ≤ 10μM
ESR1-2-E Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic Eukaryotes 20 0.33 Binding ≤ 10μM
ESR2-2-E Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic Eukaryotes 20 0.33 Binding ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 42 0.31 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 269 0.28 Functional ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 27 0.32 Functional ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 470 0.27 Functional ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 269 0.28 Binding ≤ 1μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 20 0.33 Binding ≤ 1μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 20 0.33 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 27 0.32 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.6 0.37 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 269 0.28 Binding ≤ 10μM
ESR1_HUMAN P03372 Estrogen Receptor Alpha, Human 20 0.33 Binding ≤ 10μM
ESR2_HUMAN Q92731 Estrogen Receptor Beta, Human 20 0.33 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 27 0.32 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.6 0.37 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 269 0.28 Functional ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 27 0.32 Functional ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 470 0.27 Functional ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.6 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

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