KEGG   DRUG: EnprostilHelp
Entry
D01891                      Drug                                   

Name
Enprostil (JAN/USAN/INN);
Camleed (TN)
Formula
C23H28O6
Exact mass
400.1886
Mol weight
400.4648
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Other
 DG01961  Prostaglandin derivative
  DG01959  Prostaglandin E2 derivative
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01959  Prostaglandin E2 derivative
Remark
ATC code: A02BB02
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, Prostaglandin receptor agonist
Comment
Prostaglandin derivative
Target
PTGER2 [HSA:5732] [KO:K04259]
PTGER3 [HSA:5733] [KO:K04260]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Structure map
map07035  Prostaglandins
map07038  Antiulcer drugs
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BB Prostaglandins
     A02BB02 Enprostil
      D01891  Enprostil (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D01891  Enprostil (JAN/USAN/INN)
    PTGER3
     D01891  Enprostil (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 73121-56-9
PubChem: 7848953
ChEBI: 31538
ChEMBL: CHEMBL2104194
LigandBox: D01891
NIKKAJI: J32.841C
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1y C    24.2658  -14.2131
            2   C1y C    24.2599  -15.6263
            3   C5x C    22.9226  -13.7809
            4   C1b C    25.4805  -13.5063
            5   C1y C    22.9400  -16.0585
            6   C2b C    25.4805  -16.3214
            7   C1x C    22.0991  -14.9255
            8   O5x O    22.4846  -12.4493
            9   C2b C    26.6953  -14.2131
            10  O1a O    22.5195  -17.3960
            11  C2b C    26.6953  -15.6263
            12  C1c C    27.9159  -16.3214
            13  C1b C    29.1306  -15.6263
            14  O1a O    27.9159  -17.7288
            15  O2a O    30.3453  -16.3214
            16  C8y C    30.3507  -17.7186
            17  C8x C    31.5617  -18.4098
            18  C8x C    31.5671  -19.8071
            19  C8x C    30.3597  -20.5103
            20  C8x C    29.1469  -19.8164
            21  C8x C    29.1416  -18.4191
            22  C0  C    28.0911  -14.2141
            23  C2b C    29.4883  -14.2141
            24  C1b C    30.6950  -13.5224
            25  C1b C    31.9018  -14.2211
            26  C7a C    33.1084  -13.5296
            27  O7a O    34.3151  -14.2282
            28  O6a O    33.1114  -12.1324
            29  C1a C    35.5261  -13.5311
BOND        30
            1    13  15 1
            2     5   7 1
            3    15  16 1
            4     1   2 1
            5     1   3 1
            6     1   4 1 #Down
            7     2   5 1
            8     2   6 1 #Up
            9    16  17 2
            10   17  18 1
            11   18  19 2
            12   19  20 1
            13   20  21 2
            14   21  16 1
            15    3   7 1
            16    9  22 2
            17    3   8 2
            18   22  23 2
            19    4   9 1
            20   23  24 1
            21    5  10 1 #Down
            22   24  25 1
            23    6  11 2
            24   25  26 1
            25   11  12 1
            26   26  27 1
            27   12  13 1
            28   26  28 2
            29   12  14 1 #Down
            30   27  29 1

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