KEGG   DRUG: CalusteroneHelp
Entry
D03338                      Drug                                   

Name
Calusterone (USAN/INN)
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antineoplastic
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)
     D03338  Calusterone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 17021-26-0
PubChem: 17397488
ChEMBL: CHEMBL455706
LigandBox: D03338
NIKKAJI: J9.069G
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    15.0932  -15.4860
            2   C5x C    15.0932  -16.8474
            3   C2x C    16.2722  -17.5280
            4   C2y C    17.4511  -16.8474
            5   C1z C    17.4511  -15.4860
            6   C1x C    16.2722  -14.8053
            7   C1x C    18.6300  -17.5280
            8   C1y C    19.8089  -16.8474
            9   C1y C    19.8089  -15.4860
            10  C1y C    18.6300  -14.8053
            11  C1y C    20.9880  -14.8053
            12  C1z C    20.9880  -13.4440
            13  C1x C    19.8089  -12.7634
            14  C1x C    18.6300  -13.4440
            15  C1x C    23.3457  -14.8053
            16  C1x C    23.3457  -13.4440
            17  C1z C    22.1668  -12.7634
            18  C1a C    21.0150  -12.0828
            19  O1a O    22.1720  -11.4021
            20  O5x O    13.8726  -17.5524
            21  C1a C    17.4481  -14.0854
            22  C1a C    23.4733  -12.4040
            23  C1a C    21.0319  -17.5533
BOND        26
            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   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 2
            24    5  21 1 #Up
            25   17  22 1 #Down
            26    8  23 1 #Up

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