GIREDESTRANT

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Synonyms
Status
Molecule Category Free-form
UNII 28P3DU6DB3

Structure

InChI Key GQCXHIKRWBIQMD-AKJBCIBTSA-N
Smiles C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
InChI
InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31F5N4O
Molecular Weight 522.56
AlogP 4.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 54.53
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha degrader DEGRADER PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - - - 15.7
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 16.7
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 0.05 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.4 0.05 - - 15.7-16.7

Target Conservation

Protein: Estrogen receptor alpha
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831

Cross References

Resources Reference
ChEMBL CHEMBL4650316
FDA SRS 28P3DU6DB3
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