TAS-109

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Synonyms
Status
Molecule Category Free-form
UNII 00M634HD2V
EPA CompTox DTXSID30159474

Structure

InChI Key DCYBPMFXJCWXNB-JWIUVKOKSA-N
Smiles N#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChI
InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N4O4
Molecular Weight 252.23
AlogP -1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 134.39
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 150-367 - - -
Human herpesvirus 8
- 130-230 - - -

Related Entries

Cross References

Resources Reference
ChEBI 145435
ChEMBL CHEMBL337450
DrugBank DB11667
FDA SRS 00M634HD2V
SureChEMBL SCHEMBL1006241
ZINC ZINC000003806784
CONTENTS