KEGG   DRUG: Talnetant hydrochlorideHelp
Entry
D05996                      Drug                                   

Name
Talnetant hydrochloride (USAN)
Formula
C25H22N2O2. HCl
Exact mass
418.1448
Mol weight
418.9153
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Tachykinin receptor 3 antagonist
Comment
Treatment of symptoms associated with bladder dysfunction (SABD), including urinary urgency, frequency and/or urinary incontinence (NK-3 receptor antagonist)
Target
TACR3 (NK3R) [HSA:6870] [KO:K04224]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Tachykinin / neurokinin
    tachykinin receptor 3 / neurokinin-3 receptor
     Talnetant
      D05996  Talnetant hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
204519-66-4
PubChem: 
ChEMBL: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8x C    36.5400  -28.4900
            2   C8x C    36.5400  -27.0900
            3   C8x C    37.7300  -26.3900
            4   C8y C    38.9900  -27.0900
            5   C8y C    38.9900  -28.4900
            6   C8x C    37.7300  -29.1900
            7   C8y C    40.1800  -26.3900
            8   C8y C    41.3700  -27.0900
            9   C8y C    41.3700  -28.4900
            10  N5x N    40.1800  -29.1900
            11  C5a C    40.1800  -24.9900
            12  C8y C    42.5600  -29.1900
            13  O1a O    42.5600  -26.3900
            14  C8x C    43.7500  -28.4900
            15  C8x C    45.0100  -29.1900
            16  C8x C    45.0100  -30.6600
            17  C8x C    43.8200  -31.3600
            18  C8x C    42.5600  -30.6600
            19  N1b N    41.3700  -24.2900
            20  O5a O    38.9900  -24.2900
            21  C1c C    41.3700  -22.8900
            22  C1b C    40.1800  -22.1900
            23  C1a C    38.9900  -22.8900
            24  C8y C    42.5600  -22.1900
            25  C8x C    42.5600  -20.7900
            26  C8x C    43.8200  -20.0900
            27  C8x C    45.0100  -20.7900
            28  C8x C    45.0100  -22.1900
            29  C8x C    43.8200  -22.8900
            30  X   Cl   49.0700  -26.5300
BOND        32
            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    9  10 2
            11    5  10 1
            12    7  11 1
            13    9  12 1
            14    8  13 1
            15   12  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   12  18 1
            21   11  19 1
            22   11  20 2
            23   19  21 1
            24   21  22 1
            25   22  23 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   21  24 1 #Up

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