ENOBOSARM

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Synonyms
Status
Molecule Category Free-form
UNII O3571H3R8N
EPA CompTox DTXSID30233006

Structure

InChI Key JNGVJMBLXIUVRD-SFHVURJKSA-N
Smiles C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChI
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14F3N3O3
Molecular Weight 389.33
AlogP 3.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 106.14
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor modulator MODULATOR Other Wikipedia 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 4
- 3.8-36.4 - 3.8 -25-90
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.8 - 3.8 -
Rattus norvegicus
- 36.4 - - -25-90

Target Conservation

Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Cross References

Resources Reference
ChEMBL CHEMBL1738889
DrugBank DB12078
FDA SRS O3571H3R8N
PDB RLJ
SureChEMBL SCHEMBL109069
ZINC ZINC000035793636
CONTENTS