Details of the Drug

General Information of Drug (ID: DMK0W8E)

Drug Name
cytidine
Synonyms
cytidine; 65-46-3; Cytosine riboside; 1-beta-D-Ribofuranosylcytosine; 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone; 1beta-Ribofuranosylcytosine; beta-D-Ribofuranoside, cytosine-1; 1-beta-Ribofuranosylcytosine; Zytidin; Cytidin; 4-Amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone; Cytosine, 1-beta-D-ribofuranosyl-; 1beta-2'-Ribofuranosylcytosine, d-; UNII-5CSZ8459RP; NSC 20258; Cyd; CHEBI:17562; 2(1H)-Pyrimidinone, 4-amino-1-beta-D-ribofuranosyl-; EINECS 200-610-9; 2(1H)-Pyrimidinone, 4-amino-1beta-D-ribofuranosyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 243.22
Logarithm of the Partition Coefficient (xlogp) -2.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H13N3O5
IUPAC Name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Canonical SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
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
InChIKey
UHDGCWIWMRVCDJ-XVFCMESISA-N
Cross-matching ID
PubChem CID
6175
ChEBI ID
CHEMBL95606
CAS Number
65-46-3
UNII
5CSZ8459RP
DrugBank ID
DB02097
TTD ID
D0E7ES
VARIDT ID
DR00772
INTEDE ID
DR2078
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Uridine-cytidine kinase 1 (UCK1) DE478BP UCK1_HUMAN Substrate [2]
Nicotinamide riboside kinase 1 (NRK1) DENV24I NRK1_HUMAN Substrate [3]
Nicotinamide riboside kinase 2 (NRK2) DE8DJ3N NRK2_HUMAN Substrate [3]
Uridine-cytidine kinase 2 (UCK2) DETN1O0 UCK2_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Sodium/nucleoside cotransporter 1 (SLC28A1) OTXWVV9O S28A1_HUMAN Regulation of Drug Effects [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4728).
2 Phosphorylation of uridine and cytidine nucleoside analogs by two human uridine-cytidine kinases. Mol Pharmacol. 2001 May;59(5):1181-6.
3 Nicotinamide riboside kinase structures reveal new pathways to NAD+. PLoS Biol. 2007 Oct 2;5(10):e263.
4 Differential transport of cytosine-containing nucleosides by recombinant human concentrative nucleoside transporter protein hCNT1. Nucleosides Nucleotides Nucleic Acids. 2000 Jan-Feb;19(1-2):415-34. doi: 10.1080/15257770008033018.