KEGG   DRUG: Prinaberel
Entry
D06631                      Drug                                   

Name
Prinaberel (USAN/INN)
Formula
C15H10FNO3
Exact mass
271.0645
Mol weight
271.2432
Structure
Class
Other
 DG01584  Estrogen receptor agonist
  DG01630  beta-Estrogen receptor agonist
Efficacy
Anti-inflammatory, Estrogen receptor beta agonist
Comment
Treatment of arthritis
Target
NR3A2 (ESR2) [HSA:2100] [KO:K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04917  Prolactin signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A2 (ESR2)
     D06631  Prinaberel (USAN/INN)
Other DBs
CAS: 524684-52-4
PubChem: 47208282
ChEMBL: CHEMBL450940
PDB-CCD: 041[PDBj]
LigandBox: D06631
KCF data

ATOM        20
            1   C8x C    16.5900  -19.3900
            2   C8y C    16.5900  -17.9900
            3   C8x C    17.7800  -17.2900
            4   C8y C    19.0400  -17.9900
            5   C8y C    19.0400  -19.3900
            6   C8y C    17.7800  -20.0900
            7   N5x N    20.3700  -17.5700
            8   C8y C    21.1400  -18.6900
            9   O2x O    20.3700  -19.8100
            10  C8y C    22.5400  -18.6900
            11  C8x C    23.2400  -19.9024
            12  C8y C    24.6400  -19.9024
            13  C8y C    25.3400  -18.6900
            14  C8x C    24.6400  -17.4776
            15  C8x C    23.2400  -17.4776
            16  O1a O    26.7400  -18.6900
            17  C2b C    17.7628  -21.4899
            18  O1a O    15.3747  -17.2949
            19  X   F    25.3304  -21.0979
            20  C2a C    18.9792  -22.2124
BOND        22
            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 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19    6  17 1
            20    2  18 1
            21   12  19 1
            22   17  20 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (3)   
   KEGG DGROUP (1)   
   CHEMBL (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

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