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

6-Mercaptopurine

Formula: C5H4N4S (152.0156664)

CAS ID: 50-44-2

6-Methylmercaptopurine

Formula: C6H6N4S (166.0313156)

CAS ID: 50-66-8

6-Thiourate

Formula: C5H4N4O2S (184.0054964)

CAS ID: 2002-60-0

Abacavir

Formula: C14H18N6O (286.1542018)

CAS ID: 136470-78-5

Acetaminophen

Formula: C8H9NO2 (151.0633254)

CAS ID: 103-90-2

Calcium cation

Formula: Ca (39.962591)

CAS ID: 14127-61-8

Cyclopropylamine

Formula: C3H7N (57.0578462)

CAS ID: 765-30-0

H+

Formula: H (1.0078246)

CAS ID: 12408-02-5

H2O

Formula: H2O (18.0105642)

CAS ID: 7732-18-5

Isoniazid

Formula: C6H7N3O (137.0589092)

CAS ID: 54-85-3

Magnesium cation

Formula: Mg (23.98505)

CAS ID: 22537-22-0

Manganese(2+)

Formula: Mn (54.938046)

CAS ID: 7439-96-5

Molybdopterin

Formula: C10H14N5O6PS2 (395.01231140000004)

CAS ID: 220399-50-8

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

Sodium cation

Formula: Na (22.98977)

CAS ID: 17341-25-2

Zinc cation

Formula: Zn (63.929145)

CAS ID: 23713-49-7

Paracetamol sulfate

Formula: C8H9NO5S (231.0201424)

CAS ID: 10066-90-7

Gentisuric acid

Formula: C9H9NO5 (211.04807040000003)

CAS ID: 25351-24-0

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

Salicylates

Formula: C7H5O3 (137.023868)

CAS ID: 63-36-5

acetate

Formula: C2H3O2 (59.0133038)

CAS ID: 71-50-1

2,3-dihydroxybenzoate

Formula: C7H5O4 (153.018783)

CAS ID:

2,5-dihydroxybenzoate

Formula: C7H5O4 (153.018783)

CAS ID: 490-80-2

atorvastatin(1-)

Formula: C33H34FN2O5 (557.2451626)

CAS ID: 134523-03-8

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

UDP(3-)

Formula: C9H11N2O12P2 (400.9787246)

CAS ID: 86527-70-0

ADP(3-)

Formula: C10H12N5O10P2 (424.0059412)

CAS ID:

NADP(3-)

Formula: C21H25N7O17P3 (740.051977)

CAS ID: 53-59-8

abacavir monophosphate

Formula: C14H19N6O4P (366.12053440000005)

CAS ID: 136470-77-4



Enzyme

EC Number name full name note
1.14.13.n7
1.14.14.1 unspecific monooxygenase substrate,NADPH-hemoprotein reductase:oxygen oxidoreductase (RH-hydroxylating or -epoxidizing)
2.1.1.67 thiopurine S-methyltransferase S-adenosyl-L-methionine:thiopurine S-methyltransferase
2.7.11.1 non-specific serine/threonine protein kinase ATP:protein phosphotransferase (non-specific)
2.7.13.3 histidine kinase ATP:protein-L-histidine N-phosphotransferase
2.7.4.18 farnesyl-diphosphate kinase ATP:farnesyl-diphosphate phosphotransferase
2.7.4.6 nucleoside-diphosphate kinase ATP:nucleoside-diphosphate phosphotransferase
2.8.2.1 aryl sulfotransferase 3'-phosphoadenylyl-sulfate:phenol sulfotransferase
3.6.5.2 small monomeric GTPase GTP phosphohydrolase (cell-regulating)


Proteins

Protein ID name full name