ASOPRISNIL

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Synonyms
Status
Molecule Category Free-form
UNII 72W09924WP

Structure

InChI Key GJMNAFGEUJBOCE-MEQIQULJSA-N
Smiles COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C
InChI
InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H35NO4
Molecular Weight 449.59
AlogP 5.43
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 68.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor modulator MODULATOR Wikipedia PubMed 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
- 85-120 - - -
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
- 0.2-0.3 - - -
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
- 6.1-9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.2-85 - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL267431
DrugBank DB06680
FDA SRS 72W09924WP
Guide to Pharmacology 2883
PDB AS0
PubChem 9577221
SureChEMBL SCHEMBL58611
ZINC ZINC000003936191
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