KEGG   DRUG: Carboprost
Entry
D02343                      Drug                                   

Name
Carboprost (USAN/INN)
Formula
C21H36O5
Exact mass
368.2563
Mol weight
368.5075
Structure
Simcomp
Class
Other
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
Remark
Same as: C06872
ATC code: G02AD04
Chemical structure group: DG00449
Product (DG00449): D00682<US>
Efficacy
Oxytocic, Prostaglandin F receptor agonist
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD04 Carboprost
      D02343  Carboprost (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D02343  Carboprost (USAN/INN)
Other DBs
CAS: 35700-23-3
PubChem: 7849402
ChEBI: 3403
ChEMBL: CHEMBL1237122 CHEMBL4059601
DrugBank: DB00429
LigandBox: D02343
NIKKAJI: J17.442D
LinkDB
KCF data

ATOM        26
            1   C1b C    28.2749  -13.9736
            2   C1b C    29.4679  -14.6624
            3   C1b C    30.6609  -13.9736
            4   C6a C    31.8540  -14.6624
            5   O6a O    33.0470  -13.9736
            6   C1y C    23.2740  -16.4533
            7   C1y C    23.2740  -15.0757
            8   C1y C    21.9653  -14.6624
            9   C1x C    21.1388  -15.7645
            10  C1y C    21.9653  -16.8666
            11  O1a O    21.5442  -13.3508
            12  O1a O    21.5442  -18.1783
            13  C1b C    24.4670  -13.9736
            14  C2b C    25.5913  -14.6624
            15  C2b C    27.1755  -14.6624
            16  O6a O    31.8540  -16.0397
            17  C2b C    24.4670  -17.6243
            18  C2b C    25.6601  -16.9355
            19  C1d C    26.8531  -17.6243
            20  C1b C    28.0461  -16.9355
            21  C1b C    29.2392  -17.6243
            22  C1b C    30.4322  -16.9355
            23  C1b C    31.6252  -17.6243
            24  C1a C    25.8791  -18.5983
            25  O1a O    27.8273  -18.5983
            26  C1a C    32.8056  -16.9427
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 1 #Down
            11   10  12 1 #Down
            12    7  13 1 #Down
            13   13  14 1
            14   14  15 2
            15    1  15 1
            16    4  16 2
            17    6  17 1 #Up
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   19  24 1 #Up
            25   19  25 1 #Down
            26   23  26 1

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KEGG   DRUG: Carboprost tromethamine
Entry
D00682                      Drug                                   

Name
Carboprost tromethamine (USP);
Hemabate (TN)
Product
  Generic
Formula
C21H36O5. C4H11NO3
Exact mass
489.3302
Mol weight
489.6426
Structure
Simcomp
Class
Other
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
Remark
ATC code: G02AD04
Chemical structure group: DG00449
Product (DG00449): D00682<US>
Efficacy
Oxytocic, Prostaglandin F receptor agonist
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD04 Carboprost
      D00682  Carboprost tromethamine (USP) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Prostaglandins)
  Carboprost
   D00682  Carboprost tromethamine (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D00682  Carboprost tromethamine (USP) <US>
Other DBs
CAS: 58551-69-2
PubChem: 7847748
ChEBI: 3404
ChEMBL: CHEMBL1237105
DrugBank: DB00429
LigandBox: D00682
LinkDB
KCF data

ATOM        34
            1   C1d C    34.6935  -15.9249
            2   C1b C    33.5499  -15.2656
            3   C1b C    34.6935  -17.2730
            4   C1b C    35.8373  -15.2830
            5   N1a N    34.7345  -14.0985
            6   O1a O    32.4061  -15.9249
            7   O1a O    35.8373  -17.9323
            8   O1a O    36.9985  -15.9425
            9   C1b C    25.0549  -14.0436
            10  C1b C    26.2479  -14.7324
            11  C1b C    27.4409  -14.0436
            12  C6a C    28.6340  -14.7324
            13  O6a O    29.8270  -14.0436
            14  C1y C    20.0540  -16.5233
            15  C1y C    20.0540  -15.1457
            16  C1y C    18.7453  -14.7324
            17  C1x C    17.9188  -15.8345
            18  C1y C    18.7453  -16.9366
            19  O1a O    18.3242  -13.4208
            20  O1a O    18.3242  -18.2483
            21  C1b C    21.2470  -14.0436
            22  C2b C    22.3713  -14.7324
            23  C2b C    23.9555  -14.7324
            24  O6a O    28.6340  -16.1097
            25  C2b C    21.2470  -17.6943
            26  C2b C    22.4401  -17.0055
            27  C1d C    23.6331  -17.6943
            28  C1b C    24.8261  -17.0055
            29  C1b C    26.0192  -17.6943
            30  C1b C    27.2122  -17.0055
            31  C1b C    28.4052  -17.6943
            32  C1a C    22.6591  -18.6683
            33  O1a O    24.6073  -18.6683
            34  C1a C    29.5856  -17.0127
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16   14  18 1
            17   16  19 1 #Down
            18   18  20 1 #Down
            19   15  21 1 #Down
            20   21  22 1
            21   22  23 2
            22    9  23 1
            23   12  24 2
            24   14  25 1 #Up
            25   25  26 2
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   27  32 1 #Up
            32   27  33 1 #Down
            33   31  34 1

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