KEGG   DRUG: AnagrelideHelp
Entry
D07455                      Drug                                   

Name
Anagrelide (INN/BAN)
Formula
C10H7Cl2N3O
Exact mass
254.9966
Mol weight
256.0881
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01507  Phosphodiesterase III inhibitor
Enzyme substrate
 DG01891  CYP1A1 substrate
 DG01892  CYP1A2 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
LinkDB All DBs
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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