NANATINOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII YTL7A418KQ

Structure

InChI Key QRGHOAATPOLDPF-VQFNDLOPSA-N
Smiles O=C(NO)c1cnc(N2C[C@@H]3[C@H](C2)[C@H]3NCc2ccc3cc(F)ccc3n2)nc1
InChI
InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19FN6O2
Molecular Weight 394.41
AlogP 1.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 103.27
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 3-8 - 4.8 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 8-200 - 4.8 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 8 - 4.8 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 8 - 4.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-200 - 4.8 -

Cross References

Resources Reference
ChEMBL CHEMBL1801250
DrugBank DB15419
FDA SRS YTL7A418KQ
Guide to Pharmacology 8391
PubChem 49857317
SureChEMBL SCHEMBL22712412
ZINC ZINC000101424935
CONTENTS