KEGG   DRUG: Clascoterone
Entry
D11451                      Drug                                   

Name
Clascoterone (USAN);
Winlevi (TN)
Formula
C24H34O5
Exact mass
402.2406
Mol weight
402.5238
Structure
Simcomp
Efficacy
Anti-acne, Androgen receptor antagonist
  Disease
Acne vulgaris [DS:H01445]
Comment
Treatment of acne vulgaris and androgenetic alopecia
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11451  Clascoterone (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11451
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11451
Other DBs
CAS: 19608-29-8
PubChem: 384585428
ChEMBL: CHEMBL3590187
LinkDB
KCF data

ATOM        29
            1   C1x C     8.1900  -16.1700
            2   C5x C     8.1900  -17.5700
            3   C2x C     9.4024  -18.2700
            4   C2y C    10.6149  -17.5700
            5   C1z C    10.6149  -16.1700
            6   C1x C     9.4024  -15.4700
            7   C1x C    11.8273  -18.2700
            8   C1x C    13.0397  -17.5700
            9   C1y C    13.0397  -16.1700
            10  C1y C    11.8273  -15.4700
            11  C1y C    14.2522  -15.4700
            12  C1z C    14.2522  -14.0700
            13  C1x C    13.0397  -13.3700
            14  C1x C    11.8273  -14.0700
            15  C1x C    16.6770  -15.4700
            16  C1x C    16.6770  -14.0700
            17  C1z C    15.4646  -13.3700
            18  O5x O     6.9776  -18.2700
            19  C1a C    10.6149  -14.7700
            20  C5a C    15.4646  -11.9700
            21  O7a O    16.6770  -12.6700
            22  C1b C    16.6811  -11.2677
            23  O5a O    14.2562  -11.2723
            24  C1a C    14.2522  -12.6000
            25  C7a C    17.8766  -13.3627
            26  C1b C    19.0659  -12.6760
            27  O6a O    17.8767  -14.7697
            28  C1a C    20.2562  -13.3634
            29  O1a O    17.8786  -11.9592
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   17  20 1 #Up
            24   17  21 1 #Down
            25   20  22 1
            26   20  23 2
            27   12  24 1 #Up
            28   21  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   22  29 1

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