KEGG   DRUG: IsproniclineHelp
Entry
D08935                      Drug                                   

Name
Ispronicline (INN/USAN)
Formula
C14H22N2O
Exact mass
234.1732
Mol weight
234.3373
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
Efficacy
Dementia therapeutic agent, Nicotinic acetylcholine receptor partial agonist
Comment
Treatment of cognitive and memory disorders
Target
CHRNA4/CHRNB2 [HSA:1137 1141] [KO:K04806 K04813]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRNA4/CHRNB2
     D08935  Ispronicline (INN/USAN)
BRITE hierarchy
Other DBs
CAS: 252870-53-4
PubChem: 96025618
ChEMBL: CHEMBL188462
LigandBox: D08935
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    21.4900  -15.2600
            2   N5x N    21.4900  -16.6600
            3   C8x C    22.7024  -17.3600
            4   C8y C    23.9149  -16.6600
            5   C8x C    23.9149  -15.2600
            6   C8y C    22.7024  -14.5600
            7   C2b C    25.1524  -17.3600
            8   C2b C    26.3649  -16.6600
            9   C1b C    27.5773  -17.3600
            10  C1c C    28.7897  -16.6600
            11  C1a C    30.0022  -17.3600
            12  N1b N    28.7897  -15.2601
            13  C1a C    27.5625  -14.5515
            14  O2a O    22.7024  -13.1602
            15  C1c C    21.4732  -12.4503
            16  C1a C    20.2692  -13.1454
            17  C1a C    21.4734  -11.0601
BOND        17
            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 1
            11   10  11 1
            12   10  12 1 #Up
            13   12  13 1
            14    6  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1

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