TROXACITABINE

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Synonyms
Status
Molecule Category Free-form
UNII 60KQZ0388Y

Structure

InChI Key RXRGZNYSEHTMHC-BQBZGAKWSA-N
Smiles Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1
InChI
InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N3O4
Molecular Weight 213.19
AlogP -1.31
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 99.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase (alpha/delta/epsilon) inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- 100 - - -
Homo sapiens
0.5 56-680 - - -
Human immunodeficiency virus 1
2 - - - -

Cross References

Resources Reference
ChEBI 134886
ChEMBL CHEMBL359164
DrugBank DB04961
DrugCentral 3635
FDA SRS 60KQZ0388Y
PDB LTT
PubChem 454194
SureChEMBL SCHEMBL18548
ZINC ZINC000001642845
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