KEGG   DRUG: ErteberelHelp
Entry
D09899                      Drug                                   

Name
Erteberel (USAN/INN)
Formula
C18H18O3
Exact mass
282.1256
Mol weight
282.3337
Structure
Mol fileKCF fileDB search
Class
Other
 DG01584  Estrogen receptor agonist
  DG01630  beta-Estrogen receptor agonist
Efficacy
Antipsychotic, Estrogen receptor beta agonist
Comment
Treatment of schizophrenia
Target
NR3A2 (ESR2) [HSA:2100] [KO:K08551]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A2 (ESR2)
     D09899  Erteberel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 533884-09-2
PubChem: 135626644
ChEMBL: CHEMBL278703
PDB-CCD: I0G[PDBj]
LigandBox: D09899
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    17.9200  -31.1500
            2   C8y C    17.9200  -32.5500
            3   C8x C    19.1100  -33.2500
            4   C8y C    20.3700  -32.5500
            5   C8y C    20.3700  -31.1500
            6   C8x C    19.1100  -30.4500
            7   C1y C    21.5600  -33.2500
            8   C1y C    22.7500  -32.5500
            9   C1y C    22.7500  -31.1500
            10  O2x O    21.5600  -30.4500
            11  C8y C    23.9400  -30.4500
            12  C8x C    25.1300  -31.1500
            13  C8x C    26.3900  -30.4500
            14  C8y C    26.3900  -29.0500
            15  C8x C    25.2000  -28.3500
            16  C8x C    23.9400  -29.0500
            17  C1x C    21.8580  -34.5981
            18  C1x C    23.2322  -34.7312
            19  C1x C    23.7835  -33.4655
            20  O1a O    16.7047  -33.2451
            21  O1a O    27.6053  -28.3549
BOND        24
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Up
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   11  16 2
            19    7  17 1
            20   17  18 1
            21   18  19 1
            22    8  19 1
            23    2  20 1
            24   14  21 1

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