DEOXYCYTIDINE

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Synonyms
Status
Molecule Category Free-form
UNII 0W860991D6
EPA CompTox DTXSID70883620

Structure

InChI Key CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Smiles Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
InChI
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O4
Molecular Weight 227.22
AlogP -1.53
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 110.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 7-24
Enzyme
- - - - 7-24
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 27
Escherichia coli B
- - - - 0-0
Homo sapiens
100 - - - -
Mesocricetus auratus
- - - - 10-24
Rattus norvegicus
- - - - 58

Related Entries

Cross References

Resources Reference
ChEBI 15698
ChEMBL CHEMBL66115
DrugBank DB02594
FDA SRS 0W860991D6
Human Metabolome Database HMDB0000014
KEGG C00881
PDB DCZ
PubChem 13711
SureChEMBL SCHEMBL23178
ZINC ZINC000018286013
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