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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:17562
CAS Number: 65-46-3
DrugBank ID: DB02097
TTD ID: D0E7ES
VARIDT ID: DR00772
INTEDE ID: DR2078

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)

MIA Detail

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.