KEGG   DRUG: TiletamineHelp
Entry
D08596                      Drug                                   

Name
Tiletamine (INN)
Formula
C12H17NOS
Exact mass
223.1031
Mol weight
223.3345
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Remark
Chemical structure group: DG01380
Efficacy
Anticonvulsant, Anesthetic
Comment
Phencyclidine derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08596  Tiletamine (INN)
BRITE hierarchy
Other DBs
CAS: 14176-49-9
PubChem: 96025280
ChEMBL: CHEMBL2110703
LigandBox: D08596
NIKKAJI: J8.486G
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1x C    21.2800  -17.7800
            2   C1x C    21.2800  -19.1800
            3   C1x C    22.4700  -19.8800
            4   C1x C    23.7300  -19.1800
            5   C1z C    23.7300  -17.7800
            6   C5x C    22.4700  -17.0800
            7   C8y C    24.9200  -17.0800
            8   C8x C    26.2500  -17.5000
            9   C8x C    27.0900  -16.3800
            10  C8x C    26.2500  -15.2600
            11  S2x S    24.9200  -15.6800
            12  N1b N    24.9200  -18.4800
            13  C1b C    24.9200  -19.8800
            14  C1a C    26.1100  -20.6500
            15  O5x O    22.4700  -15.6800
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 1
            13    5  12 1
            14   12  13 1
            15   13  14 1
            16    6  15 2

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