UCSF

ZINC04074121

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 21 No

Popular Name: 1,4,6-Andorstatriene-3,17-dione; 1,4,6-Androstatriene-3,17-dione; 1,4,6-androstrien-3,17-dione; A146-T317D; ATD; Androsta-1,4,6-triene-3,17-dione; C19H22O2; LS-19416 1,4,6-Andorstatriene-3,17-dione;…

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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) 2.53 9.2 -13.21 0 2 0 34 282.383 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-2-E Cytochrome P450 19A1 (cluster #2 Of 3), Eukaryotic Eukaryotes 180 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 180 0.45 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 180 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Estrogen biosynthesis

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