Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2129)
Drug Name
CI-909
Synonyms
Riboxamide; TIAZOFURIN; Tiazofurin (USAN); Tiazofurin [USAN]; Tiazofurina; Tiazofurina [Spanish]; Tiazofurine; Tiazofurine (INN); Tiazofurine [INN]; Tiazofurinum; Tiazofurinum [Latin]; Tiazole; ULJ82834RE; (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol; 2-b-D-Ribofuranosyl-4-thiazolecarboxamide; 2-beta-D-Ribofuranosyl-4-thiazolecarboxamide; 4-Thiazolecarboxamide, 2-beta-D-ribofuranosyl-; 60084-10-8; BRN 1084555; C9H12N2O5S; CHEBI:90239; CI-909; NSC 286193; NSC-286193; TCAR; UNII-ULJ82834RE
Indication Acute lymphoblastic leukemia [ICD11: 2B33] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 260.269 Topological Polar Surface Area 154
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
457954
PubChem SID
606015 ; 10302570 ; 12012976 ; 14823734 ; 14872336 ; 24770760 ; 26737438 ; 47207788 ; 50051787 ; 57405484 ; 74610381 ; 103328095 ; 109722895 ; 127340579 ; 127340580 ; 127906342 ; 134222062 ; 134338637 ; 135006424 ; 137156918 ; 137242660 ; 140152998 ; 143013889 ; 160847159 ; 162224190 ; 163411145 ; 163849160 ; 164765593 ; 179117146 ; 198978476 ; 223558181 ; 225050731 ; 225380230 ; 226396315 ; 241109682 ; 249859445 ; 250214917 ; 252075587 ; 252423709 ; 252510318
ChEBI ID
CHEBI:90239
CAS Number
60084-10-8
TTD Drug ID
D0S7DV
Formula
C9H12N2O5S
Canonical SMILES
C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N
InChI
1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
InChIKey
FVRDYQYEVDDKCR-DBRKOABJSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Thiazole-4-carboxamide adenine dinucleotide (TAD) DM006479
46874801
Unclear 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006963 CI-909 Thiazole-4-carboxamide adenine dinucleotide (TAD) Unclear NRK1 [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Nicotinamide riboside kinase 1 (NRK1) DME0479 Homo sapiens
NRK1_HUMAN
2.7.1.22
[2]
Nicotinamide riboside kinase 2 (NRK2) DME0478 Homo sapiens
NRK2_HUMAN
2.7.1.22
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Nicotinamide riboside kinase 1 (NRK1) DME0479 Km = 0.11 microM
NRK1_HUMAN
[2]
Nicotinamide riboside kinase 2 (NRK2) DME0478 Km = 0.11 microM
NRK2_HUMAN
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (ULJ82834RE)
2 Nicotinamide riboside kinase structures reveal new pathways to NAD+. PLoS Biol. 2007 Oct 2;5(10):e263.
3 Action of the active metabolites of tiazofurin and ribavirin on purified IMP dehydrogenase

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