KEGG   DRUG: Altinicline maleate
Entry
D02839                      Drug                                   
Name
Altinicline maleate (USAN)
Formula
C12H14N2. C4H4O4
Exact mass
302.1267
Mol weight
302.32
Structure
Efficacy
Antiparkinsonian, Nicotinic acetylcholine receptor agonist
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
     D02839  Altinicline maleate (USAN)
Other DBs
CAS: 192231-16-6
PubChem: 17396996
LigandBox: D02839
LinkDB
KCF data

ATOM        22
            1   C2b C    25.4346  -15.4881
            2   C2b C    23.7664  -15.4881
            3   C6a C    26.0601  -16.6697
            4   C6a C    23.1409  -16.6697
            5   O6a O    25.4346  -17.7818
            6   O6a O    27.4501  -16.6697
            7   O6a O    21.7509  -16.6697
            8   O6a O    23.7664  -17.7818
            9   C1x C    15.8876  -18.0598
            10  C1y C    15.8876  -16.6697
            11  C1x C    17.2097  -18.4894
            12  C1x C    18.0268  -17.3648
            13  N1y N    17.2097  -16.2401
            14  C1a C    17.2309  -14.5846
            15  N5x N    13.4799  -13.8895
            16  C8x C    12.2761  -14.5846
            17  C8y C    12.2761  -15.9746
            18  C8x C    13.4799  -16.6697
            19  C8y C    14.6837  -15.9746
            20  C8x C    14.6837  -14.5846
            21  C3b C    11.0721  -16.6697
            22  C3a C     9.8604  -17.3694
BOND        22
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     9  10 1
            9     9  11 1
            10   11  12 1
            11   12  13 1
            12   10  13 1
            13   13  14 1
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   15  20 2
            20   17  21 1
            21   10  19 1 #Up
            22   21  22 3

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