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

BXPC-3

Name And Classification

ID:  ALA614530

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  BXPC-3

Description:  BXPC-3 (Pancreatic adenocarcinoma cells)

Source tissue:  Pancreatic adenocarcinoma cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cell Line Ontology:  CLO_0002065

Experimental Factor Ontology:  EFO_0002709

Cellosaurus:  CVCL_0186

LiNCS Project:  LCL-1731

Associated Active Ligands

  1. Tetrahydrouridine
    ALA64541

    Name:
    (8-Hydroxymethyl-1,7-dioxa-spiro[5.5]undec-2-yl)-methanol

    Mol. Formula:
    C11H20O4

    M.W.:
    216.28

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  2. Tetrahydrouridine
    ALA64595

    Name:
    Acetic acid 10-hydroxy-2-(2-hydroxy-ethyl)-8-hydroxymethyl-10-methyl-1,7-dioxa-spiro[5.5]undec-4-yl ester

    Mol. Formula:
    C15H26O7

    M.W.:
    318.37

    Type:
    Small molecule

    AlogP:
    0.10

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. Tetrahydrouridine
    ALA70309

    Name:
    1-[4-(5-Bromo-pyrimidin-2-yloxy)-3-methyl-phenyl]-3-(2-methylamino-benzoyl)-urea

    Mol. Formula:
    C20H18BrN5O3

    M.W.:
    456.30

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    105.24

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  4. Tetrahydrouridine
    ALA347025

    Name:
    (E)-(S)-2-((2R,3R,4S,5R,6S)-3,4,5-Tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-octa-1,5,7-trien-4-ol

    Mol. Formula:
    C36H42O6

    M.W.:
    570.73

    Type:
    Small molecule

    AlogP:
    6.55

    Polar Surface Area:
    66.38

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. Tetrahydrouridine
    ALA349109

    Name:
    (E)-(S)-7-Chloro-2-((2R,3R,4S,5R,6S)-3,4,5-tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-octa-1,5,7-trien-4-ol

    Mol. Formula:
    C36H41ClO6

    M.W.:
    605.17

    Type:
    Small molecule

    AlogP:
    7.12

    Polar Surface Area:
    66.38

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  6. Tetrahydrouridine
    ALA445146

    Name:
    acetic acid (2S,3R,4S,4aR)-2,3,4-triacetoxy-6-oxo-2,3,4,4a,5,6-hexahydro-[1,3]dioxolo[4,5-j]phenanthridin-7-yl ester

    Mol. Formula:
    C22H21NO11

    M.W.:
    475.41

    Type:
    Small molecule

    AlogP:
    0.64

    Polar Surface Area:
    152.76

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. Tetrahydrouridine
    ALA425111

    Name:
    2,3,4,tri-O-acetylnarciclasine

    Mol. Formula:
    C20H19NO10

    M.W.:
    433.37

    Type:
    Small molecule

    AlogP:
    0.42

    Polar Surface Area:
    146.69

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. Tetrahydrouridine
    ALA223299

    Name:
    10b(S)-epipancratistatin

    Mol. Formula:
    C14H15NO8

    M.W.:
    325.27

    Type:
    Small molecule

    AlogP:
    -2.23

    Polar Surface Area:
    148.71

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    0

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. Tetrahydrouridine
    ALA223808

    Name:
    10b(S)-2,3,4-tri-O-acetylpancratistatin

    Mol. Formula:
    C20H21NO11

    M.W.:
    451.38

    Type:
    Small molecule

    AlogP:
    -0.51

    Polar Surface Area:
    166.92

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. Tetrahydrouridine
    ALA375637

    Name:
    10b(R)-hydroxy-2,3,4,7-tetra-O-acetylnarciclasine

    Mol. Formula:
    C22H23NO13

    M.W.:
    509.42

    Type:
    Small molecule

    AlogP:
    -1.19

    Polar Surface Area:
    193.22

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS