| Entry |
|
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| Name |
Esketamine (USAN/INN) |
|---|
| Formula |
C13H16ClNO
|
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| Exact mass |
237.092
|
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| Mol weight |
237.7252
|
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| Structure |
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| Simcomp |
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| Class |
|
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| Remark |
| Product (DG01829): | D10627<US> |
|
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| Efficacy |
Antidepressant, NMDA receptor antagonist |
|---|
| Comment |
Treatment of depression
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
|
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| Interaction |
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| Structure map |
| map07235 | N-Methyl-D-aspartic acid (NMDA) receptor antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N01 ANESTHETICS
N01A ANESTHETICS, GENERAL
N01AX Other general anesthetics
N01AX14 Esketamine
D07283 Esketamine (USAN/INN)
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AX Other antidepressants
N06AX27 Esketamine
D07283 Esketamine (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
DG01829 Esketamine
D07283 Esketamine
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG01829 Esketamine
D07283 Esketamine
DG01642 CYP2C9 substrate
DG01829 Esketamine
D07283 Esketamine
DG01639 CYP2C19 substrate
DG01829 Esketamine
D07283 Esketamine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01829 Esketamine
D07283 Esketamine
DG02924 UGT substrate
DG01829 Esketamine
D07283 Esketamine
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Glutamate (ionotropic), NMDA
GRIN (NMDAR)
D07283 Esketamine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07283
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
DG01829 Esketamine
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG01829 Esketamine
DG01642 CYP2C9 substrate
DG01829 Esketamine
DG01639 CYP2C19 substrate
DG01829 Esketamine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01829 Esketamine
DG02924 UGT substrate
DG01829 Esketamine
|
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| Other DBs |
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| KCF data |
ATOM 16
1 C1z C 19.3775 -16.0455
2 C8y C 18.1910 -16.7434
3 C5x C 20.7733 -16.0455
4 C1x C 18.6796 -14.8590
5 N1b N 20.0754 -17.2319
6 C8y C 16.9348 -16.0455
7 C8x C 18.1910 -18.1392
8 C1x C 21.4712 -14.7892
9 O5x O 21.4712 -17.2319
10 C1x C 19.3775 -13.6028
11 C1a C 19.3775 -18.4882
12 C8x C 15.7483 -16.7434
13 X Cl 16.9348 -14.6496
14 C8x C 16.9348 -18.8371
15 C1x C 20.7733 -13.6028
16 C8x C 15.7483 -18.1392
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 2
14 8 15 1
15 12 16 2
16 10 15 1
17 14 16 1
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