MEZIGDOMIDE

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Synonyms
Status
Molecule Category Free-form
UNII LA88IH4O02

Structure

InChI Key YTINZZFBHWSAGL-NDEPHWFRSA-N
Smiles N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1
InChI
InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30FN5O4
Molecular Weight 567.62
AlogP 3.36
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 105.98
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- 30 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 30 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4648616
FDA SRS LA88IH4O02
CONTENTS