KEGG   DRUG: Carfentanil
Entry
D07620                      Drug                                   
Name
Carfentanil (INN)
Formula
C24H30N2O3
Exact mass
394.2256
Mol weight
394.5066
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Chemical structure group: DG01339
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Comment
Phenylpiperidine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01339  Carfentanil
     D07620  Carfentanil
 Analgesic
  DG01984  Opioid analgesics
   DG01339  Carfentanil
    D07620  Carfentanil
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07620  Carfentanil (INN)
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  D07620
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01339  Carfentanil
 Analgesic
  DG01984  Opioid analgesics
   DG01339  Carfentanil
Other DBs
CAS: 59708-52-0
PubChem: 96024451
ChEBI: 61084
PDB-CCD: 84K[PDBj]
LigandBox: D07620
NIKKAJI: J18.086F
KCF data

ATOM        29
            1   C8x C    17.0100  -27.4400
            2   C8x C    17.0100  -28.8400
            3   C8x C    18.2000  -29.5400
            4   C8x C    19.4600  -28.8400
            5   C8y C    19.4600  -27.4400
            6   C8x C    18.2000  -26.6700
            7   N1c N    20.7200  -26.6700
            8   C1z C    21.9800  -27.4400
            9   C1x C    21.9800  -28.8400
            10  C1x C    23.1700  -29.5400
            11  N1y N    24.4300  -28.8400
            12  C1x C    24.4300  -27.4400
            13  C1x C    23.1700  -26.6700
            14  C1b C    25.6900  -29.5400
            15  C1b C    26.8800  -28.8400
            16  C8y C    28.1400  -29.5400
            17  C5a C    20.7200  -25.2700
            18  O5a O    19.4600  -24.5700
            19  C1b C    21.9800  -24.5700
            20  C1a C    23.1700  -25.2700
            21  C7a C    21.3500  -28.5600
            22  O7a O    21.3500  -29.9600
            23  C1a C    20.1376  -30.6600
            24  O6a O    19.9957  -28.2052
            25  C8x C    28.1631  -30.9398
            26  C8x C    29.3869  -31.6197
            27  C8x C    30.5876  -30.8998
            28  C8x C    30.5645  -29.5000
            29  C8x C    29.3407  -28.8201
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18    7  17 1
            19   17  18 2
            20   17  19 1
            21   19  20 1
            22    8  21 1
            23   21  22 1
            24   22  23 1
            25   21  24 2
            26   16  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   16  29 1

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