KEGG   DRUG: CarfentanilHelp
Entry
D07620                      Drug                                   

Name
Carfentanil (INN)
Formula
C24H30N2O3
Exact mass
394.2256
Mol weight
394.5066
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07620  Carfentanil (INN)
BRITE hierarchy
Other DBs
CAS: 59708-52-0
PubChem: 96024451
ChEBI: 61084
ChEMBL: CHEMBL290429
DrugBank: DB01535
LigandBox: D07620
NIKKAJI: J18.086F
KCF data Show

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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