KEGG   DRUG: DalcetrapibHelp
Entry
D09708                      Drug                                   

Name
Dalcetrapib (USAN/INN)
Formula
C23H35NO2S
Exact mass
389.2389
Mol weight
389.5945
Structure
Mol fileKCF fileDB search
Efficacy
Anti-atherosclerotic, Cholesteryl ester transfer protein inhibitor
Comment
Preventing cardiovascular events in CHD patients and slowing progression of atherosclerosis
Target
CETP [HSA:1071] [KO:K16835]
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Digestive system
   Cholesterol metabolism
    CETP
     D09708  Dalcetrapib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 211513-37-0
PubChem: 124490448
ChEMBL: CHEMBL313006
LigandBox: D09708
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1a C     8.3300  -20.6500
            2   C1c C     9.5200  -21.3500
            3   C5a C    10.7100  -20.6500
            4   S2a S    11.9000  -21.3500
            5   C8y C    11.9000  -22.7500
            6   C8x C    10.7100  -23.4500
            7   C8x C    10.7100  -24.8500
            8   C8x C    11.9000  -25.5500
            9   C8x C    13.1600  -24.8500
            10  C8y C    13.1600  -23.4500
            11  O5a O    10.7100  -19.2500
            12  C1a C     9.5200  -22.7500
            13  N1b N    14.3500  -22.7500
            14  C5a C    15.5400  -23.4500
            15  C1z C    16.7300  -22.7500
            16  O5a O    15.5400  -24.8500
            17  C1b C    17.9200  -23.4500
            18  C1c C    19.1100  -22.7500
            19  C1b C    20.3000  -23.4500
            20  C1b C    19.1100  -21.3500
            21  C1a C    20.3000  -20.6500
            22  C1a C    21.4900  -22.7500
            23  C1x C    15.5400  -20.6500
            24  C1x C    15.5400  -22.0500
            25  C1x C    17.9900  -22.0500
            26  C1x C    17.9900  -20.6500
            27  C1x C    16.7300  -19.9500
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10    5  10 2
            11    3  11 2
            12    2  12 1
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 1
            21   20  21 1
            22   19  22 1
            23   23  24 1
            24   24  15 1
            25   15  25 1
            26   25  26 1
            27   26  27 1
            28   23  27 1

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