KEGG   DRUG: NalbuphineHelp
Entry
D08246                      Drug                                   

Name
Nalbuphine (INN);
Intapan (TN)
Formula
C21H27NO4
Exact mass
357.194
Mol weight
357.4434
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Same as: C07251
ATC code: N02AF02
Chemical structure group: DG00822
Product (DG00822): D00843<US>
Efficacy
Antidote, Narcotic antagonist, Opioid receptor agonist/antagonist
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AF Morphinan derivatives
     N02AF02 Nalbuphine
      D08246  Nalbuphine (INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Nalbuphine
    D08246  Nalbuphine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08246  Nalbuphine (INN)
    OPRK1
     D08246  Nalbuphine (INN)
    OPRD1
     D08246  Nalbuphine (INN)
BRITE hierarchy
Other DBs
CAS: 20594-83-6
PubChem: 96024934
ChEBI: 7454
ChEMBL: CHEMBL2112201 CHEMBL3039334 CHEMBL895
DrugBank: DB00844
LigandBox: D08246
NIKKAJI: J14.212C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1z C    21.9100  -18.1300
            2   C8y C    21.9100  -16.8000
            3   C1z C    23.1000  -18.8300
            4   C1y C    20.7900  -18.7600
            5   C1x C    23.1000  -17.5000
            6   C8y C    20.7900  -16.1700
            7   C8y C    23.1000  -16.1700
            8   C1y C    24.2200  -18.1300
            9   C1x C    23.1000  -20.0900
            10  O2x O    19.5300  -17.4300
            11  C1y C    20.7900  -20.0900
            12  C1x C    25.3400  -17.5000
            13  C8y C    20.7900  -14.8400
            14  C1x C    24.2200  -16.8700
            15  C8x C    23.1000  -14.8400
            16  N1y N    25.3400  -18.8300
            17  C1x C    21.9100  -20.7900
            18  O1a O    19.7400  -20.7900
            19  C8x C    21.9800  -14.2100
            20  O1a O    19.7400  -14.2100
            21  O1a O    24.3600  -19.7400
            22  C1b C    26.7400  -18.8300
            23  C1y C    27.4400  -20.0200
            24  C1x C    27.0900  -21.3500
            25  C1x C    28.4200  -21.7000
            26  C1x C    28.7700  -20.3700
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Down
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   22  23 1
            28   23  24 1
            29   24  25 1
            30   25  26 1
            31   23  26 1

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