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KEGG   DRUG: Sarecycline
Entry
D10666                      Drug                                   
Name
Sarecycline (USAN/INN)
Formula
C24H29N3O8
Exact mass
487.1955
Mol weight
487.50
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: J01AA14
Chemical structure group: DG01848
Product (DG01848): D10667<US>
Efficacy
Antibacterial
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA14 Sarecycline
      D10666  Sarecycline (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG01848  Sarecycline
    D10666  Sarecycline
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Tetracycline
    D10666  Sarecycline (USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10666
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10666
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG01848  Sarecycline
Other DBs
CAS: 1035654-66-0
PubChem: 254741627
PDB-CCD: V7A[PDBj]
KCF data

ATOM        35
            1   C1y C    21.0877  -16.5925
            2   C1z C    21.0877  -17.9552
            3   C1y C    22.3070  -15.9470
            4   C1x C    19.8684  -15.8752
            5   C2y C    19.8684  -18.6725
            6   C5x C    22.2353  -18.6725
            7   C2y C    23.4546  -16.6642
            8   C1y C    18.7208  -16.5925
            9   C2y C    18.7190  -17.9552
            10  O1a O    19.8684  -20.0352
            11  C2y C    23.4546  -18.0270
            12  O5x O    22.2353  -20.1070
            13  O1a O    24.6739  -15.9470
            14  C1x C    17.5015  -15.8752
            15  C5x C    17.5015  -18.6725
            16  C5a C    24.6739  -18.7442
            17  C8y C    16.2821  -16.5925
            18  C8y C    16.2821  -17.9552
            19  O5x O    17.5015  -20.0352
            20  N1a N    25.8932  -18.0270
            21  O5a O    24.6739  -20.1070
            22  C8y C    15.0628  -15.8752
            23  C8y C    15.0628  -18.6725
            24  C8x C    13.8435  -16.5925
            25  C8x C    13.8435  -17.9552
            26  O1a O    15.0628  -20.0352
            27  C1b C    15.0628  -14.4407
            28  N1c N    13.8435  -13.7235
            29  C1a C    13.8435  -12.2890
            30  O2a O    12.5525  -14.4407
            31  C1a C    11.3332  -13.7235
            32  N1c N    22.3070  -14.5125
            33  C1a C    23.5263  -13.8670
            34  C1a C    21.0159  -13.8670
            35  O1a O    21.0877  -19.3897
BOND        38
            1     5   9 2
            2     5  10 1
            3     6  11 1
            4     6  12 2
            5     7  13 1
            6     8  14 1
            7     9  15 1
            8    11  16 1
            9    14  17 1
            10   15  18 1
            11   15  19 2
            12   16  20 1
            13   16  21 2
            14   17  22 1
            15   18  23 1
            16   22  24 2
            17   23  25 2
            18   23  26 1
            19    7  11 2
            20    8   9 1
            21   17  18 2
            22   24  25 1
            23    1   2 1
            24    1   3 1
            25    1   4 1
            26    2   5 1
            27    2   6 1
            28    3   7 1
            29    4   8 1
            30   22  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 1
            34   30  31 1
            35   32  33 1
            36   32  34 1
            37    3  32 1 #Down
            38    2  35 1 #Down

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Ontology (5)   
   KEGG BRITE (5)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (2)   
   PubChem (1)   
   PDB-CCD (1)   
All databases (8)   

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