KEGG   DRUG: Anagrelide hydrochloride hydrateHelp
Entry
D10255                      Drug                                   

Name
Anagrelide hydrochloride hydrate (JAN);
Anagrelide hydrochloride monohydrate;
Agrylin (TN)
Formula
C10H7Cl2N3O. HCl. H2O
Exact mass
308.9839
Mol weight
310.5643
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01507  Phosphodiesterase III inhibitor
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG01892  CYP1A2 substrate
Remark
Therapeutic category: 4299
ATC code: L01XX35
Chemical structure group: DG00727
Product (DG00727): D02933<US> D10255<JP>
Efficacy
Thrombocythemia treatment, Platelet aggregation inhibitor, Phosphodiesterase inhibitor
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
hsa00230  Purine metabolism
Metabolism
Enzyme: CYP1A1 [HSA:1543], CYP1A2 [HSA:1544]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX35 Anagrelide
      D10255  Anagrelide hydrochloride hydrate (JAN) <JP>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Blood Products and Modifiers, Other
   Anagrelide
    D10255  Anagrelide hydrochloride hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4299  Others
     D10255  Anagrelide hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE3
     D10255  Anagrelide hydrochloride hydrate (JAN) <JP>
Antineoplastics [br08340.html]
 D10255
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10255
BRITE hierarchy
Other DBs
CAS: 823178-43-4
PubChem: 163312286
LinkDB All DBs
KCF data Show

ATOM        18
            1   N1y N    20.7900  -16.7300
            2   C2y C    20.7900  -18.1300
            3   N2x N    19.6000  -18.8300
            4   C8y C    18.3400  -18.1300
            5   C8y C    18.3400  -16.7300
            6   C1x C    19.5300  -16.0300
            7   C8y C    17.1500  -16.0300
            8   C8y C    15.8900  -16.7300
            9   C8x C    15.8900  -18.1300
            10  C8x C    17.1500  -18.8300
            11  X   Cl   17.1500  -14.6300
            12  X   Cl   14.7000  -16.0300
            13  N1x N    22.1200  -18.5500
            14  C5x C    22.8900  -17.4300
            15  C1x C    22.1200  -16.3100
            16  O5x O    24.2900  -17.4300
            17  X   Cl   26.8800  -15.7500
            18  O0  O    27.3700  -18.8300
BOND        18
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   1 1
            6     1   2 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10   4 1
            12    7  11 1
            13    8  12 1
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17    1  15 1
            18   14  16 2

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