KEGG   DRUG: Carboprost
Entry
D02343                      Drug                                   
Name
Carboprost (USAN/INN)
Formula
C21H36O5
Exact mass
368.2563
Mol weight
368.51
Structure
Simcomp
Class
Hormonal agent
 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)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
     D02343  Carboprost
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D02343  Carboprost (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
Other DBs
CAS: 35700-23-3
PubChem: 7849402
ChEBI: 3403
PDB-CCD: 87Q[PDBj]
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
HEMABATE (Pharmacia & Upjohn Company LLC)
  Generic
CARBOPROST TROMETHAMINE (Alembic Pharmaceuticals Limited), CARBOPROST TROMETHAMINE (Alembic Pharmaceuticals), CARBOPROST TROMETHAMINE (Amneal Pharmaceuticals LLC), CARBOPROST TROMETHAMINE (BE Pharmaceuticals), CARBOPROST TROMETHAMINE (Caplin Steriles Limited), CARBOPROST TROMETHAMINE (Dr. Reddy's Laboratories), CARBOPROST TROMETHAMINE (Dr. Reddy's Laboratories), CARBOPROST TROMETHAMINE (Dr. Reddy's Laboratories), CARBOPROST TROMETHAMINE (Eugia US LLC), CARBOPROST TROMETHAMINE (Fresenius Kabi USA), CARBOPROST TROMETHAMINE (Gland Pharma Limited), CARBOPROST TROMETHAMINE (Hospira), CARBOPROST TROMETHAMINE (Long Grove Pharmaceuticals), CARBOPROST TROMETHAMINE (SOLA Pharmaceuticals), CARBOPROST TROMETHAMINE (STELIS BIOPHARMA LIMITED), CARBOPROST TROMETHAMINE (Woodward Pharma Services LLC), CARBOPROST TROMETHAMINE (Xellia Pharmaceuticals USA LLC)
Formula
C21H36O5. C4H11NO3
Exact mass
489.3302
Mol weight
489.64
Structure
Simcomp
Class
Hormonal agent
 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)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
     D00682  Carboprost tromethamine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D00682  Carboprost tromethamine (USP) <US>
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
Other DBs
CAS: 58551-69-2
PubChem: 7847748
ChEBI: 3404
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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