LGD-2941

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Synonyms
Status
Molecule Category Free-form
UNII 27H8PR7JGK

Structure

InChI Key HWLLYFXDDGGHOE-BCSUUIJWSA-N
Smiles C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChI
InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16F6N2O2
Molecular Weight 394.31
AlogP 3.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 56.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor modulator MODULATOR 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
7.1 - - 1.5-1.5 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
7.1 - - 1.5 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL467888
DrugBank DB05234
FDA SRS 27H8PR7JGK
SureChEMBL SCHEMBL3015188
ZINC ZINC000014968224
CONTENTS