ASTX-660

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Synonyms
Status
Molecule Category Free-form
UNII 2LHZ9ZC3YO

Structure

InChI Key YCXOHEXZVKOGEV-DNRQZRRGSA-N
Smiles C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
InChI
InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H42FN5O3
Molecular Weight 539.7
AlogP 2.31
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 81.17
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 0.22-12 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 30
Other cytosolic protein
- 2.8 - - -
Unclassified protein
- - - 800 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.22-12 - - 30
Mus musculus
0.22-2.8 - - - -
Zika virus
- - - 800 -

Cross References

Resources Reference
ChEMBL CHEMBL4173974
DrugBank DB16160
FDA SRS 2LHZ9ZC3YO
SureChEMBL SCHEMBL16830758
CONTENTS