Drug ADME

Currie GM. Pharmacology, Part 2: Introduction to Pharmacokinetics. J Nucl Med Technol. 2018 Sep;46(3):221–30. doi: 10.2967/jnmt.117.199638. PMID: 29724803.; Ruiz-Garcia A, Bermejo M, Moss A, Casabo VG. Pharmacokinetics in Drug Discovery. Journal of Pharmaceutical Sciences. 2008 Feb;97(2):654–90. doi: 10.1002/jps.21009.; Pallasch TJ. Principles of pharmacotherapy: II. Pharmacokinetics. Anesth Prog. 1988 Jul;35(4):133–46. PMID: 3046441; PMCID: PMC2167950.

Metabolites

Abacavir

Formula: C14H18N6O (286.1542018)

CAS ID: 136470-78-5

H+

Formula: H (1.0078246)

CAS ID: 12408-02-5

H2O

Formula: H2O (18.0105642)

CAS ID: 7732-18-5

Magnesium cation

Formula: Mg (23.98505)

CAS ID: 22537-22-0

Manganese(2+)

Formula: Mn (54.938046)

CAS ID: 7439-96-5

Zinc cation

Formula: Zn (63.929145)

CAS ID: 23713-49-7

Thioguanosine 5'-diphosphate

Formula: C10H15N5O10P2S (459.00148700000005)

CAS ID: 16541-19-8

Thioguanosine 5'-triphosphate

Formula: C10H16N5O13P3S (538.9678196)

CAS ID: 17670-19-8

1H-1,2,4-Triazole-3-carboxamide

Formula: C3H4N4O (112.0385094)

CAS ID: 3641-08-5

phosphate(3-)

Formula: O4P (94.953423)

CAS ID: 14265-44-2

adenosine 5'-monophosphate(2-)

Formula: C10H12N5O7P (345.0474332)

CAS ID:

6-mercaptopurine riboside 5'-phosphate(2-)

Formula: C10H11N4O7PS (362.00860660000006)

CAS ID:

NADPH(4-)

Formula: C21H26N7O17P3 (741.0598016)

CAS ID: 53-57-6

ATP(4-)

Formula: C10H12N5O13P3 (502.9644492)

CAS ID:

NADH(2-)

Formula: C21H27N7O14P2 (663.1091182000001)

CAS ID:

NAD(1-)

Formula: C21H26N7O14P2 (662.1012936000001)

CAS ID: 53-84-9

ADP(3-)

Formula: C10H12N5O10P2 (424.0059412)

CAS ID:

NADP(3-)

Formula: C21H25N7O17P3 (740.051977)

CAS ID: 53-59-8



Enzyme

EC Number name full name note
3.4.13.-
1.1.1.205 IMP dehydrogenase IMP:NAD+ oxidoreductase
2.3.2.2 gamma-glutamyltransferase (5-L-glutamyl)-peptide:amino-acid 5-glutamyltransferase
2.4.2.1 purine-nucleoside phosphorylase purine-nucleoside:phosphate ribosyltransferase
2.7.1.20 adenosine kinase ATP:adenosine 5'-phosphotransferase
2.7.4.6 nucleoside-diphosphate kinase ATP:nucleoside-diphosphate phosphotransferase
2.7.4.8 guanylate kinase ATP:(d)GMP phosphotransferase
3.4.19.13 glutathione gamma-glutamate hydrolase
3.6.1.66 XTP/dITP diphosphatase XTP/dITP diphosphohydrolase (diphosphate-forming)
6.3.5.2 GMP synthase (glutamine-hydrolysing) xanthosine-5'-phosphate:L-glutamine amido-ligase (AMP-forming)


Proteins

Protein ID name full name
O14194 ggt2 Glutathione hydrolase proenzyme 2
O14344 gua1 Inosine-5'-monophosphate dehydrogenase
P49740 ndk1 Nucleoside diphosphate kinase
P78825 ado1 Adenosine kinase
Q9P6I2 dug1 Cys-Gly metallodipeptidase dug1
Q9P6I5 KGUA_SCHPO Guanylate kinase
Q9P772 gua2 GMP synthase [glutamine-hydrolyzing]
Q9UTG1 PNPH_SCHPO Putative purine nucleoside phosphorylase
Q9UU89 ITPA_SCHPO Inosine triphosphate pyrophosphatase