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Trypanosoma brucei

Name And Classification

ID:  ALA612849

Type:  ORGANISM

Organism:  Trypanosoma brucei

Species Group:  Trypanosoma brucei

Associated Active Ligands

  1. Tetrahydrouridine
    ALA9391

    Name:
    N,N'-Bis-(4-carbamimidoyl-phenyl)-isophthalamide

    Mol. Formula:
    C22H20N6O2

    M.W.:
    400.44

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    157.94

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. Tetrahydrouridine
    ALA267154

    Name:
    3-[4-(4,5-Dihydro-1H-imidazol-2-yl)-benzylidene]-1-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-piperidine

    Mol. Formula:
    C24H27N5

    M.W.:
    385.52

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    52.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. Tetrahydrouridine
    ALA9531

    Name:
    Pyridine-2,6-dicarboxylic acid bis-[(4-carbamimidoyl-phenyl)-amide]

    Mol. Formula:
    C21H19N7O2

    M.W.:
    401.43

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    170.83

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  4. Tetrahydrouridine
    ALA276449

    Name:
    1-[4-(4,5-Dihydro-1H-imidazol-2-yl)-benzyl]-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-benzylidene]-piperidine

    Mol. Formula:
    C25H29N5

    M.W.:
    399.54

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    52.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. Tetrahydrouridine
    ALA9479

    Name:
    4-[4-(4,5-Dihydro-1H-imidazol-2-yl)-benzyl]-1-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-piperidine

    Mol. Formula:
    C24H29N5

    M.W.:
    387.53

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    52.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  6. Tetrahydrouridine
    ALA266808

    Name:
    Cyclopropane-1,2-dicarboxylic acid bis-{[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-amide}

    Mol. Formula:
    C23H24N6O2

    M.W.:
    416.49

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    106.98

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. Tetrahydrouridine
    ALA8892

    Name:
    1,4-Bis-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-piperazine

    Mol. Formula:
    C22H26N6

    M.W.:
    374.49

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    55.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  8. Tetrahydrouridine
    ALA9185

    Name:
    1,4-Bis-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-[1,4]diazepane

    Mol. Formula:
    C23H28N6

    M.W.:
    388.52

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    55.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  9. Tetrahydrouridine
    ALA9516

    Name:
    3-[4-(4,5-Dihydro-1H-imidazol-2-yl)-benzyl]-1-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-piperidine

    Mol. Formula:
    C24H29N5

    M.W.:
    387.53

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    52.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  10. Tetrahydrouridine
    ALA9126

    Name:
    4-(4-{4-[(E)-amino(imino)methyl]phenyl}piperazin-1-yl)benzenecarboximidamide

    Mol. Formula:
    C18H22N6

    M.W.:
    322.42

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    106.22

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS