| Entry |
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| Name |
Bromocriptine (USAN/INN) |
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| Formula |
C32H40BrN5O5
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| Exact mass |
653.2213
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| Mol weight |
654.59
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01964 Ergot alkaloid
DG01967 Antiparkinson agent
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
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| Remark |
| Product (DG00452): | D00780<JP/US> |
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| Efficacy |
Antiparkinsonian, Dopamine D2 receptor agonist, Prolactin inhibitor |
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| Comment |
Ergot alkaloid derivative
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
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| Structure map |
| map07213 | Dopamine receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CB Prolactine inhibitors
G02CB01 Bromocriptine
D03165 Bromocriptine (USAN/INN)
N NERVOUS SYSTEM
N04 ANTI-PARKINSON DRUGS
N04B DOPAMINERGIC AGENTS
N04BC Dopamine agonists
N04BC01 Bromocriptine
D03165 Bromocriptine (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG00452 Bromocriptine
D03165 Bromocriptine
DG01964 Ergot alkaloid
DG00452 Bromocriptine
D03165 Bromocriptine
DG01967 Antiparkinson agent
DG00452 Bromocriptine
D03165 Bromocriptine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00452 Bromocriptine
D03165 Bromocriptine
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00452 Bromocriptine
D03165 Bromocriptine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D03165 Bromocriptine (USAN/INN)
Cytokines and receptors
Cytokines
CSF and other factors
PRL
D03165 Bromocriptine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03165
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG00452 Bromocriptine
DG01964 Ergot alkaloid
DG00452 Bromocriptine
DG01967 Antiparkinson agent
DG00452 Bromocriptine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00452 Bromocriptine
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00452 Bromocriptine
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| Other DBs |
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| KCF data |
ATOM 43
1 N1y N 25.6009 -13.7929
2 C1z C 25.6181 -12.4797
3 C5x C 23.3300 -13.7870
4 C1y C 26.7364 -14.4637
5 C1y C 26.7650 -11.8259
6 O2x O 24.4770 -11.8144
7 O1a O 25.6009 -10.8078
8 C1z C 23.3359 -12.4625
9 O5x O 22.9804 -15.0544
10 C5x C 27.9472 -13.8213
11 C1b C 26.7191 -16.0515
12 N1y N 27.9118 -12.4855
13 C1x C 26.7535 -10.5129
14 N1b N 22.1949 -11.8087
15 C1c C 23.3300 -10.7339
16 O5x O 29.0186 -14.4751
17 C1x C 29.0358 -11.8087
18 C1x C 29.0243 -10.4955
19 C5a C 21.0593 -12.4740
20 C1a C 24.2592 -9.5934
21 C1a C 22.6649 -9.5873
22 C1y C 21.0478 -13.7870
23 O5a O 19.9127 -11.7972
24 C2x C 19.9068 -14.4350
25 C1x C 22.1833 -14.4522
26 C2y C 19.8952 -15.7481
27 N1y N 22.1718 -15.7654
28 C8y C 18.7486 -16.4076
29 C1y C 21.0249 -16.4134
30 C8y C 18.7486 -17.7094
31 C8x C 17.6130 -15.7424
32 C1x C 21.0249 -17.7323
33 C8y C 19.8952 -18.3688
34 C8y C 17.6075 -18.3688
35 C8x C 16.4719 -16.4076
36 C8y C 19.8897 -19.6818
37 N4x N 17.6075 -19.6818
38 C8x C 16.4719 -17.7264
39 X Br 21.0192 -20.3413
40 C1c C 27.9275 -16.7560
41 C1a C 29.1521 -16.0560
42 C1a C 27.9216 -18.1253
43 C1a C 23.3783 -16.4767
BOND 49
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 2
9 4 10 1
10 4 11 1 #Down
11 5 12 1
12 5 13 1
13 8 14 1
14 8 15 1 #Up
15 10 16 2
16 12 17 1
17 13 18 1
18 14 19 1
19 15 20 1
20 15 21 1
21 22 19 1 #Up
22 19 23 2
23 22 24 1
24 22 25 1
25 24 26 2
26 25 27 1
27 26 28 1
28 26 29 1
29 28 30 1
30 28 31 2
31 29 32 1
32 30 33 1
33 30 34 2
34 31 35 1
35 33 36 2
36 34 37 1
37 34 38 1
38 36 39 1
39 6 8 1
40 10 12 1
41 17 18 1
42 27 29 1
43 32 33 1
44 35 38 2
45 36 37 1
46 11 40 1
47 40 41 1
48 40 42 1
49 27 43 1
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