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HaCaT

Name And Classification

ID:  ALA614392

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  HaCaT

Description:  HaCaT (Keratinocytes)

Source tissue:  Keratinocytes

Source Organism:  Homo sapiens

Source Tax ID:  9606

Experimental Factor Ontology:  EFO_0002056

Cellosaurus:  CVCL_0038

Associated Active Ligands

  1. Tetrahydrouridine
    ALA130633

    Name:
    5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C17H20O6

    M.W.:
    320.34

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    74.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. Tetrahydrouridine
    ALA130305

    Name:
    5-[2-(2,5-Dimethoxy-phenyl)-vinyl]-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C18H18O5

    M.W.:
    314.34

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. Tetrahydrouridine
    ALA132498

    Name:
    5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C16H16O5

    M.W.:
    288.30

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. Tetrahydrouridine
    ALA134181

    Name:
    5-(2,5-Dimethoxy-phenoxymethyl)-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C17H18O6

    M.W.:
    318.33

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    74.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  5. Tetrahydrouridine
    ALA131405

    Name:
    5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hydroxy-benzoic acid

    Mol. Formula:
    C16H18O6

    M.W.:
    306.31

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    85.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  6. Tetrahydrouridine
    ALA129856

    Name:
    5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C18H20O5

    M.W.:
    316.35

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  7. Tetrahydrouridine
    ALA341459

    Name:
    5-(2,5-Dimethoxy-benzylamino)-2-hydroxy-benzoic acid

    Mol. Formula:
    C16H17NO5

    M.W.:
    303.31

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    88.02

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  8. Tetrahydrouridine
    ALA448100

    Name:
    5-[(2,5-Dimethoxy-phenylamino)-methyl]-2-hydroxy-benzoic acid methyl ester

    Mol. Formula:
    C17H19NO5

    M.W.:
    317.34

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    77.02

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  9. Tetrahydrouridine
    ALA130549

    Name:
    5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzoic acid

    Mol. Formula:
    C17H18O5

    M.W.:
    302.33

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    75.99

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  10. Tetrahydrouridine
    ALA412084

    Name:
    [2-({(R)-2-[3-(3,4-Dimethyl-2,5-dioxo-cyclopent-3-enylamino)-4,5,6-trihydroxy-tetrahydro-pyran-2-yloxy]-3-octadecyloxy-propoxy}-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium

    Mol. Formula:
    C38H71N2O12P

    M.W.:
    778.96

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    193.14

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    30

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS