Entry |
|
Name |
Mercaptopurine (INN); Mercaptopurine anhydrous; Purinethol (TN) |
Formula |
C5H4N4S
|
Exact mass |
152.0157
|
Mol weight |
152.18
|
Structure |
|
Simcomp |
|
Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
|
Remark |
Product (DG00683): | D00161<JP/US> |
|
Efficacy |
Antineoplastic, Antimetabolite |
Target |
|
Pathway |
|
Interaction |
|
Structure map |
map07041 | Antineoplastics - antimetabolic agents |
|
Other map |
map00983 | Drug metabolism - other enzymes |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BB Purine analogues
L01BB02 Mercaptopurine
D04931 Mercaptopurine (INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG00683 Mercaptopurine
D04931 Mercaptopurine
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Pentosyltransferases
HPRT1
D04931 Mercaptopurine (INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG00683 Mercaptopurine
|
Other DBs |
|
KCF data |
ATOM 10
1 C8y C 23.8700 -16.9400
2 C8y C 23.8700 -18.2700
3 C8y C 24.9900 -16.3100
4 N4x N 24.9900 -18.9700
5 N5x N 26.1100 -16.9400
6 S0 S 24.9900 -14.9800
7 C8x C 26.1100 -18.2700
8 N4x N 22.6051 -16.5290
9 C8x C 21.8233 -17.6050
10 N5x N 22.6051 -18.6810
BOND 11
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 5 7 2
8 1 8 1
9 8 9 1
10 9 10 2
11 2 10 1
|