KEGG   DRUG: Verubulin hydrochlorideHelp
Entry
D10030                      Drug                                   

Name
Verubulin hydrochloride (USAN)
Formula
C17H17N3O. HCl
Exact mass
315.1138
Mol weight
315.7973
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01411
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
  Pathway
hsa04540  Gap junction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D10030  Verubulin hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 917369-31-4
PubChem: 135626750
ChEMBL: CHEMBL2105697
LigandBox: D10030
KCF data Show

ATOM        22
            1   C8x C    22.0500  -19.7400
            2   C8y C    22.0500  -21.1400
            3   C8x C    23.2400  -21.8400
            4   C8x C    24.5000  -21.1400
            5   C8y C    24.5000  -19.7400
            6   C8x C    23.2400  -19.0400
            7   O2a O    20.8600  -21.8400
            8   C1a C    19.6700  -21.1400
            9   N1c N    25.6900  -19.0400
            10  C8y C    26.8800  -19.7400
            11  C1a C    25.6900  -17.6400
            12  N5x N    26.8800  -21.1400
            13  C8y C    28.1400  -21.8400
            14  N5x N    29.3300  -21.1400
            15  C8y C    29.3300  -19.7400
            16  C8y C    28.1400  -19.0400
            17  C8x C    30.5200  -19.0400
            18  C8x C    30.5200  -17.6400
            19  C8x C    29.3300  -16.9400
            20  C8x C    28.1400  -17.6400
            21  C1a C    28.1400  -23.2400
            22  X   Cl   32.9000  -21.3500
BOND        23
            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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 1
            11    9  11 1
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   10  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   16  20 1
            23   13  21 1

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