KEGG   DRUG: DalcotidineHelp
Entry
D01698                      Drug                                   

Name
Dalcotidine (JAN/INN);
KU 1257
Formula
C18H29N3O2
Exact mass
319.226
Mol weight
319.4418
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Activity
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Dalcotidine
      D01698  Dalcotidine (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
120958-90-9
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
KCF data Show

ATOM        23
            1   C1x C    14.7700  -23.2400
            2   C1x C    14.7700  -21.8400
            3   C1x C    16.0300  -21.1400
            4   C1x C    17.2900  -21.8400
            5   N1y N    17.2900  -23.2400
            6   C1x C    16.0300  -23.9400
            7   C1b C    18.4800  -23.9400
            8   C8y C    19.6700  -23.2400
            9   C8x C    19.6700  -21.8400
            10  C8x C    20.9300  -21.1400
            11  C8x C    22.1200  -21.8400
            12  C8y C    22.1200  -23.2400
            13  C8x C    20.9300  -23.9400
            14  O2a O    23.3100  -23.9400
            15  C1b C    24.5000  -23.2400
            16  C1b C    25.7600  -23.9400
            17  C1b C    26.9500  -23.2400
            18  N1b N    28.1400  -23.8700
            19  C5a C    29.3300  -23.2400
            20  N1b N    30.5200  -23.8700
            21  C1b C    31.7100  -23.2400
            22  O5a O    29.3300  -21.8400
            23  C1a C    32.9000  -23.8700
BOND        24
            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 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 2
            24   21  23 1

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