dydrogesterone   Click here for help

GtoPdb Ligand ID: 2878

Synonyms: Duphaston®
Approved drug
dydrogesterone is an approved drug (FDA-no information available-discontinued)
Compound class: Synthetic organic
Comment: Dydrogesterone is a synthetic progestogen with no androgenic or estrogenic properties which unusually does not inhibit ovulation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 34.14
Molecular weight 312.21
XLogP 4.71
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC2(C(=C1)C=CC1C2CCC2(C1CCC2C(=O)C)C)C
Isomeric SMILES O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Progesterone receptor Primary target of this compound Hs Agonist Agonist 6.9 pKi - 1-2
pKi 6.9 (Ki 1.26x10-7 M) Binding to PRs on MCF-7 cells [1-2]