KEGG   DRUG: Lotilaner
Entry
D11212                      Drug                                   
Name
Lotilaner (USAN/INN);
Xdemvy (TN)
Product
XDEMVY (Tarsus Pharmaceuticals)
Formula
C20H14Cl3F6N3O3S
Exact mass
594.9726
Mol weight
596.75
Structure
Simcomp
Remark
ATC code: S01AX25
Product: D11212<US>
Efficacy
Antiparasitic, GABA-gated chloride channel inhibitor
Comment
Treatment of Demodex blepharitis
Target
GABA-gated chloride channel [KO:K05181 K05195 K05175]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX25 Lotilaner
      D11212  Lotilaner (USAN/INN) <US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-Infectives
   Antiparasitic, Ophthalmic
    Lotilaner
     D11212  Lotilaner (USAN/INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antimite agents
   GABA-gated chloride channel inhibitor
    D11212  Lotilaner (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11212
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11212
Other DBs
CAS: 1369852-71-0
PubChem: 384585190
ChEBI: 229657
LinkDB
KCF data

ATOM        36
            1   C8y C    10.3182  -15.9337
            2   C8y C    10.3182  -17.3372
            3   C8y C    11.5112  -18.0390
            4   C8x C    12.7744  -17.3372
            5   C8y C    12.7744  -15.9337
            6   C8x C    11.5112  -15.2320
            7   X   Cl   11.5112  -19.4425
            8   X   Cl    9.1252  -18.0390
            9   X   Cl    9.1252  -15.2320
            10  C1z C    13.9674  -15.2320
            11  N2x N    15.8621  -13.8986
            12  C2y C    16.2832  -15.2320
            13  C1x C    15.0902  -16.0741
            14  O2x O    14.4586  -13.8986
            15  C1d C    12.9849  -14.2495
            16  X   F    12.0024  -13.2670
            17  X   F    11.5814  -14.2495
            18  X   F    12.9849  -12.8460
            19  C8y C    17.4762  -15.9337
            20  C8x C    17.9674  -17.2671
            21  C8y C    19.3008  -17.2671
            22  C8y C    19.7218  -15.8635
            23  S2x S    18.5288  -15.0916
            24  C1a C    20.1429  -18.3197
            25  C5a C    20.9148  -15.1618
            26  N1b N    22.1078  -15.8635
            27  O5a O    20.9148  -13.7582
            28  C1b C    23.3008  -15.1618
            29  C5a C    24.4938  -15.8635
            30  N1b N    25.7570  -15.1618
            31  O5a O    24.4938  -17.2671
            32  C1b C    26.9500  -15.8635
            33  C1d C    28.1567  -15.1801
            34  X   F    29.3691  -14.4801
            35  X   F    27.4567  -13.9677
            36  X   F    28.8567  -16.3925
BOND        38
            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     3   7 1
            8     2   8 1
            9     1   9 1
            10   10   5 1 #Up
            11   11  12 2
            12   12  13 1
            13   13  10 1
            14   10  14 1
            15   11  14 1
            16   10  15 1 #Down
            17   15  16 1
            18   15  17 1
            19   15  18 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   19  23 1
            25   21  24 1
            26   25  26 1
            27   25  22 1
            28   25  27 2
            29   26  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 2
            33   30  32 1
            34   12  19 1
            35   32  33 1
            36   33  34 1
            37   33  35 1
            38   33  36 1

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