CYTARABINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01BC01
UNII 04079A1RDZ
EPA CompTox DTXSID3022877

Structure

InChI Key UHDGCWIWMRVCDJ-CCXZUQQUSA-N
Smiles Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChI
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O5
Molecular Weight 243.22
AlogP -2.56
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 130.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other nuclear protein
- 20 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78.64-95.76
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cercopithecidae
- - - - 38.28
Cricetulus griseus
- - - - 78.64-95.76
Hepatitis C virus
- 20 - - -
Herpes simplex virus (type 1 / strain CL101)
- - - - 91
Homo sapiens
5.614-657.2 1-990 - - 24.4-49.9
Human herpesvirus 1
- 300 - - 0-93.6
Mus musculus
- 0.4-800 - - 6.8-99
Rattus norvegicus
- - - - -4-20

Related Entries

Cross References

Resources Reference
ChEBI 28680
ChEMBL CHEMBL803
DrugBank DB00987
DrugCentral 770
FDA SRS 04079A1RDZ
Human Metabolome Database HMDB0000089
Guide to Pharmacology 4827
KEGG C02961
PDB AR3
PharmGKB PA449177
PubChem 6253
SureChEMBL SCHEMBL3140
ZINC ZINC000003795098
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