LONAPRISAN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII F5Z5EL4D26
EPA CompTox DTXSID60893551

Structure

InChI Key VHZPUDNSVGRVMB-RXDLHWJPSA-N
Smiles CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1
InChI
InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29F5O3
Molecular Weight 508.53
AlogP 6.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 16 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 0.0025-0.0036 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 54 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.0025-0.0036 - - -
Mus musculus
- 16 - - -

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL146032
DrugBank DB16221
FDA SRS F5Z5EL4D26
PubChem 6918548
SureChEMBL SCHEMBL977182
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