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

General Information of Drug (ID: DR1773)
Drug Name
Clofarabine
Synonyms
Clofarabine; Clofarex; Clolar; Evoltra; clofarabina; clofarabinum; (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol; (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; 123318-82-1; 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine; 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine; 762RDY0Y2H; C1-F-Ara-A; CAFdA; CHEBI:681569; MFCD00871077; UNII-762RDY0Y2H
Indication Acute lymphoblastic leukemia [ICD11: 2B33] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 303.68 Topological Polar Surface Area 119
Heavy Atom Count 20 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
119182
PubChem SID
8149071 ; 10238376 ; 10317422 ; 12014412 ; 14800615 ; 14800616 ; 29300120 ; 46504968 ; 47205855 ; 50027432 ; 56459308 ; 57339361 ; 71821361 ; 77716344 ; 81092867 ; 92309003 ; 92719465 ; 93608050 ; 99437031 ; 99444025 ; 103707445 ; 104407717 ; 109610765 ; 118048878 ; 124757091 ; 125163895 ; 126584329 ; 126620778 ; 126652234 ; 126671067 ; 129564367 ; 134223319 ; 134338128 ; 135073562 ; 135698306 ; 136920392 ; 136946661 ; 136949087 ; 137005624 ; 141857409 ; 143493352 ; 144115841 ; 144205735 ; 152058774 ; 152237732 ; 152258941 ; 160647786 ; 160963976 ; 162011506 ; 162176704
ChEBI ID
CHEBI:681569
CAS Number
123318-82-1
TTD Drug ID
D0R5RR
Formula
C10H11ClFN5O3
Canonical SMILES
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)F)Cl)N
InChI
1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKey
WDDPHFBMKLOVOX-AYQXTPAHSA-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
2-Clofarabine DM006087
94904
Unclear 1 [3]
6-Ketoclofarabine DM006088 N. A. Unclear 1 [3]
Carboxy-Clofarabinwe DM006085 N. A. Oxidation - Oxidationn 1 [3]
Clofarabind-5'-monophosphate DM006083
131770021
Conjugation - Phosphorylation 1 [4]
Clofarabine glucuronides DM006086 N. A. Conjugation - Glucuronidation 1 [3]
Clofarabine sulfates DM006089 N. A. Unclear 1 [3]
Clofarabine triphosphate DM006084
9915350
Conjugation - Phosphorylation 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006550 Clofarabine Clofarabind-5'-monophosphate Conjugation - Phosphorylation DCK [4]
MR006552 Clofarabine Carboxy-Clofarabinwe Oxidation - Oxidationn Unclear [3]
MR006553 Clofarabine Clofarabine glucuronides Conjugation - Glucuronidation Unclear [3]
MR006554 Clofarabine 2-Clofarabine Unclear Unclear [3]
MR006555 Clofarabine 6-Ketoclofarabine Unclear Unclear [3]
MR006556 Clofarabine Clofarabine sulfates Unclear Unclear [3]
MR006551 Clofarabind-5'-monophosphate Clofarabine triphosphate Conjugation - Phosphorylation Unclear [4]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Deoxycytidine kinase (DCK) DME0443 Homo sapiens
DCK_HUMAN
2.7.1.74
[2]
References
1 Clofarabine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Clolar . The 2020 official website of the U.S. Food and Drug Administration.
3 The distribution, metabolism, and elimination of clofarabine in rats
4 LABEL: CLOFARABINE- clofarabine injection

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