UCSF

ZINC03881635

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 23 No

Popular Name: Ethisterone Ethisterone

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CAS Numbers: 434-03-7 , 7/3/434 , [434-03-7]

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) 3.48 8.05 -8.7 1 2 0 37 312.453 0 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Orally effective progestational steroid, about one-third the activity of progesterone by subcutaneous route but more active orally ZereneX Building Blocks
Target Estrogen/progestogen Receptor Selleck Chemicals
biological_use Orally effective progestational steroid, about one-third the activity of progesterone by subcutaneous route but more active orally IBScreen Bioactives
mechanism Progestogen IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-6-F Tyrosinase (cluster #6 Of 8), Fungal Fungi 2610 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 2610 0.34 Binding ≤ 10μM

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