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A2058

Name And Classification

ID:  ALA613503

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  A2058

Description:  A2058 (Melanoma cells)

Source tissue:  Melanoma cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cell Line Ontology:  CLO_0001566

Experimental Factor Ontology:  EFO_0006361

Cellosaurus:  CVCL_1059

LiNCS Project:  LCL-1237

Associated Active Ligands

  1. Tetrahydrouridine
    ALA427383

    Name:
    (11aS)-8-[3-(1H-2-indolycarboxamido)]pentoxyl-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

    Mol. Formula:
    C27H30N4O4

    M.W.:
    474.56

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    96.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. Tetrahydrouridine
    ALA1774933

    Name:
    2-Amino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2-Difluoropropyl)amide

    Mol. Formula:
    C22H23ClF3N7O2

    M.W.:
    509.92

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    111.19

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. Tetrahydrouridine
    ALA2262423

    Name:
    diethyl 2-(2-oxopropyl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate

    Mol. Formula:
    C16H20N2O5

    M.W.:
    320.35

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. Tetrahydrouridine
    ALA2262424

    Name:
    diethyl 5,6-dimethyl-2-(2-oxopropyl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate

    Mol. Formula:
    C18H24N2O5

    M.W.:
    348.40

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  5. Tetrahydrouridine
    ALA2262425

    Name:
    2-(2-oxo-2-phenylethyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester

    Mol. Formula:
    C21H22N2O5

    M.W.:
    382.42

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. Tetrahydrouridine
    ALA2262426

    Name:
    2-(2-oxo-2-phenylethyl)-5,6-dimethyl-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. Tetrahydrouridine
    ALA2262427

    Name:
    2-(2-(4-hydroxyphenyl)-2-oxoethyl)-2,3-dihydro-benzoimidazole-1,3(2H)-dicarboxylic acid diethyl ester

    Mol. Formula:
    C21H22N2O6

    M.W.:
    398.42

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    96.38

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. Tetrahydrouridine
    ALA2262428

    Name:
    2-(2-(4-methoxyphenyl)-2-oxoethyl)-5,6-dimethyl-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester

    Mol. Formula:
    C24H28N2O6

    M.W.:
    440.50

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    85.38

    HBA:
    6

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  9. Tetrahydrouridine
    ALA2262429

    Name:
    2-(2-oxo-3-phenylpropyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester

    Mol. Formula:
    C22H24N2O5

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. Tetrahydrouridine
    ALA2262430

    Name:
    5,6-dimethyl-2-(2-oxo-4-phenylbut-3-enyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester

    Mol. Formula:
    C25H28N2O5

    M.W.:
    436.51

    Type:
    Small molecule

    AlogP:
    5.24

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS