KEGG   DRUG: Safingol
Entry
D05784                      Drug                                   
Name
Safingol (USAN/INN)
Formula
C18H39NO2
Exact mass
301.2981
Mol weight
301.5078
Structure
Simcomp
Efficacy
Antineoplastic, Antipsoriatic, Protein kinase C inhibitor
Target
PRKCB [HSA:5579] [KO:K19662]
PRKCD [HSA:5580] [KO:K06068]
PRKCE [HSA:5581] [KO:K18050]
PIK3C3 [HSA:5289] [KO:K00914]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    PRKCB
     D05784  Safingol (USAN/INN)
    PRKCD
     D05784  Safingol (USAN/INN)
    PRKCE
     D05784  Safingol (USAN/INN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C3
     D05784  Safingol (USAN/INN)
Other DBs
CAS: 15639-50-6
PubChem: 47207445
ChEBI: 179060
LigandBox: D05784
NIKKAJI: J550.689A
LinkDB
KCF data

ATOM        21
            1   O1a O    18.9700  -33.5300
            2   C1b C    20.1824  -32.8300
            3   C1c C    21.3949  -33.5300
            4   C1c C    22.6073  -32.8300
            5   N1a N    21.3949  -34.9298
            6   O1a O    22.6073  -31.4300
            7   C1b C    23.8218  -33.5312
            8   C1b C    25.0183  -32.8402
            9   C1b C    26.2051  -33.5254
            10  C1b C    27.3966  -32.8372
            11  C1b C    28.5860  -33.5239
            12  C1b C    29.7761  -32.8365
            13  C1b C    30.9662  -33.5235
            14  C1b C    32.1560  -32.8363
            15  C1b C    33.3462  -33.5234
            16  C1b C    34.5360  -32.8362
            17  C1b C    35.7263  -33.5233
            18  C1b C    36.9160  -32.8362
            19  C1b C    38.1063  -33.5233
            20  C1b C    39.2960  -32.8362
            21  C1a C    40.4863  -33.5233
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Up
            5     4   6 1 #Up
            6     4   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

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