KEGG   DRUG: Pevonedistat hydrochloride
Entry
D10654                      Drug                                   
Name
Pevonedistat hydrochloride (JAN/USAN)
Formula
C21H25N5O4S. HCl
Exact mass
479.1394
Mol weight
479.98
Structure
Simcomp
Remark
Chemical structure group: DG01832
Efficacy
Antineoplastic
Comment
Oncology
Target
NAE1 [HSA:8883] [KO:K04532]
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Ubiquitin system
    NAE1
     D10654  Pevonedistat hydrochloride (JAN/USAN)
Other DBs
CAS: 1160295-21-5
PubChem: 254741615
LinkDB
KCF data

ATOM        32
            1   C8x C    13.9300  -18.5500
            2   C8x C    13.9300  -19.9500
            3   C8y C    15.1200  -20.6500
            4   C8y C    16.3800  -19.9500
            5   C8x C    16.3800  -18.5500
            6   C8x C    15.1200  -17.8500
            7   C1x C    15.4000  -22.0500
            8   C1x C    16.8000  -22.1900
            9   C1y C    17.4300  -20.8600
            10  N1b N    18.6900  -20.1600
            11  C8y C    18.6900  -18.7600
            12  C8y C    19.8800  -18.0600
            13  C8y C    19.8800  -16.6600
            14  N5x N    18.6900  -15.9600
            15  C8x C    17.4300  -16.6600
            16  N5x N    17.4300  -18.0600
            17  C8x C    21.2100  -18.4800
            18  C8x C    22.0500  -17.3600
            19  N4y N    21.2100  -16.2400
            20  C1y C    21.6300  -14.9100
            21  C1x C    22.9600  -14.4900
            22  C1y C    22.9600  -13.0900
            23  C1y C    21.6300  -12.6700
            24  C1x C    20.8600  -13.7900
            25  O1a O    21.2100  -11.3400
            26  C1b C    24.0800  -12.3200
            27  O2a O    25.2700  -13.0200
            28  S4a S    26.6700  -13.0200
            29  O3c O    26.6700  -11.6200
            30  O3c O    26.6700  -14.4200
            31  N1a N    28.0700  -13.0200
            32  X   Cl   27.4400  -18.2700
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    4   9 1
            11    9  10 1 #Up
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   12  17 1
            20   17  18 2
            21   18  19 1
            22   13  19 1
            23   20  19 1 #Up
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   20  24 1
            29   23  25 1 #Down
            30   22  26 1 #Down
            31   26  27 1
            32   27  28 1
            33   28  29 2
            34   28  30 2
            35   28  31 1

» Japanese version   » Back

DBGET integrated database retrieval system