DEOXYCYTIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0W860991D6

Structure
InChI Key CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Smile 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 Hydrolase
- - 1100-3000 - -
Enzyme Transferase
- - - - 10-24
Enzyme
- - 1100-3000 - 10-24

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 951-77-9
ChEBI 15698
ChEMBL CHEMBL66115
DrugBank DB02594
EPA CompTox DTXSID70883620
FDA SRS 0W860991D6
Human Metabolome Database HMDB0000014
KEGG C00881
PDB DCZ
PubChem 13711
SureChEMBL SCHEMBL23178
ZINC ZINC000018286013
CONTENTS