KEGG   DRUG: AnagrelideHelp
Entry
D07455                      Drug                                   

Name
Anagrelide (INN/BAN)
Formula
C10H7Cl2N3O
Exact mass
254.9966
Mol weight
256.0881
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01507  Phosphodiesterase III inhibitor
Cyp substrate
 DG01891  CYP1A1 substrate
Remark
ATC code: L01XX35
Chemical structure group: DG00727
Product (DG00727): D02933<US> D10255<JP>
Efficacy
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
      D07455  Anagrelide (INN/BAN)
USP drug classification [BR:br08302]
 Blood Products/Modifiers/Volume Expanders
  Blood Formation Modifiers
   Anagrelide
    D07455  Anagrelide (INN/BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE3
     D07455  Anagrelide (INN/BAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07455
BRITE hierarchy
Other DBs
CAS: 68475-42-3
PubChem: 51091786
ChEBI: 142290
ChEMBL: CHEMBL760
DrugBank: DB00261
LigandBox: D07455
NIKKAJI: J18.596E
KCF data Show

ATOM        16
            1   N1y N    23.8000  -17.9200
            2   C2y C    23.8000  -19.3200
            3   N2x N    22.6100  -20.0200
            4   C8y C    21.3500  -19.3200
            5   C8y C    21.3500  -17.9200
            6   C1x C    22.5400  -17.2200
            7   C8y C    20.1600  -17.2200
            8   C8y C    18.9000  -17.9200
            9   C8x C    18.9000  -19.3200
            10  C8x C    20.1600  -20.0200
            11  X   Cl   20.1600  -15.8200
            12  X   Cl   17.7100  -17.2200
            13  N1x N    25.1300  -19.7400
            14  C5x C    25.9000  -18.6200
            15  C1x C    25.1300  -17.5000
            16  O5x O    27.3000  -18.6200
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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