Your company account is blocked and you cannot place orders. If you have questions, please contact your company administrator.

Leishmania mexicana

Name And Classification

ID:  ALA612880

Type:  ORGANISM

Organism:  Leishmania mexicana

Species Group:  Leishmania mexicana

Associated Active Ligands

  1. Tetrahydrouridine
    ALA568497

    Name:
    (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-((Z)-1-(2-(pyridin-2-yl)hydrazono)ethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol

    Mol. Formula:
    C26H39N3O

    M.W.:
    409.62

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    57.51

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. Tetrahydrouridine
    ALA1172446

    Name:
    5-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzo[d]imidazole

    Mol. Formula:
    C14H7Cl2F3N2O

    M.W.:
    347.12

    Type:
    Small molecule

    AlogP:
    5.68

    Polar Surface Area:
    37.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  3. Tetrahydrouridine
    ALA1170756

    Name:
    5-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)-1Hbenzimidazole

    Mol. Formula:
    C15H9Cl2F3N2O

    M.W.:
    361.15

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. Tetrahydrouridine
    ALA1170757

    Name:
    6-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)-1Hbenzimidazole

    Mol. Formula:
    C15H9Cl2F3N2O

    M.W.:
    361.15

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. Tetrahydrouridine
    ALA1169965

    Name:
    5(6)-Chloro-6(5)-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole

    Mol. Formula:
    C14H6Cl3F3N2O

    M.W.:
    381.57

    Type:
    Small molecule

    AlogP:
    6.33

    Polar Surface Area:
    37.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. Tetrahydrouridine
    ALA1170157

    Name:
    6(5)-Chloro-5(6)-(1-naphthyloxy)-2-(trifluoromethyl)-1Hbenzimidazole

    Mol. Formula:
    C18H10ClF3N2O

    M.W.:
    362.74

    Type:
    Small molecule

    AlogP:
    6.18

    Polar Surface Area:
    37.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. Tetrahydrouridine
    ALA1170158

    Name:
    6-Chloro-1-methyl-5-(1-naphthyloxy)-2-(trifluoromethyl)-1Hbenzimidazole

    Mol. Formula:
    C19H12ClF3N2O

    M.W.:
    376.76

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. Tetrahydrouridine
    ALA1170159

    Name:
    5-Chloro-1-methyl-6-(1-naphthyloxy)-2-(trifluoromethyl)-1H-benzimidazole

    Mol. Formula:
    C19H12ClF3N2O

    M.W.:
    376.77

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. Tetrahydrouridine
    ALA1213043

    Name:
    2-(1H-indol-2-yl)isophthalimidamide

    Mol. Formula:
    C16H15N5

    M.W.:
    277.33

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    115.53

    HBA:
    2

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  10. Tetrahydrouridine
    ALA1232399

    Name:
    methyl-1-[4-(2,4-diaminopteridin-6-ylmethylamino)benzoyl]-piperidine-4-carboxylate

    Mol. Formula:
    C21H24N8O3

    M.W.:
    436.48

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    162.24

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS