KEGG   DRUG: Safingol hydrochloride
Entry
D05785                      Drug                                   
Name
Safingol hydrochloride (USAN)
Formula
C18H39NO2. HCl
Exact mass
337.2748
Mol weight
337.9687
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
     D05785  Safingol hydrochloride (USAN)
    PRKCD
     D05785  Safingol hydrochloride (USAN)
    PRKCE
     D05785  Safingol hydrochloride (USAN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C3
     D05785  Safingol hydrochloride (USAN)
Other DBs
CAS: 139755-79-6
PubChem: 47207446
LigandBox: D05785
LinkDB
KCF data

ATOM        22
            1   O1a O    20.7534  -32.8402
            2   C1b C    21.9813  -32.1312
            3   C1c C    23.2094  -32.8402
            4   C1c C    24.4374  -32.1312
            5   N1a N    23.2094  -34.2579
            6   O1a O    24.4374  -30.7132
            7   C1b C    25.6674  -32.8414
            8   C1b C    26.8793  -32.1415
            9   C1b C    28.0813  -32.8355
            10  C1b C    29.2881  -32.1385
            11  C1b C    30.4928  -32.8340
            12  C1b C    31.6981  -32.1378
            13  C1b C    32.9035  -32.8336
            14  C1b C    34.1086  -32.1376
            15  C1b C    35.3140  -32.8335
            16  C1b C    36.5191  -32.1375
            17  C1b C    37.7247  -32.8334
            18  C1b C    38.9296  -32.1375
            19  C1b C    40.1352  -32.8334
            20  C1b C    41.3402  -32.1375
            21  C1a C    42.5457  -32.8334
            22  X   Cl   40.2500  -35.2800
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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