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NCI-H929

Name And Classification

ID:  ALA4296391

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  NCI-H929

Description:  NCI-H929

Source tissue:  Plasma cell myeloma

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cell Line Ontology:  CLO_0008127

Experimental Factor Ontology:  EFO_0001221

Cellosaurus:  CVCL_1600

Associated Active Ligands

  1. Tetrahydrouridine
    ALA2103840

    Name:
    DINACICLIB

    Mol. Formula:
    C21H28N6O2

    M.W.:
    396.50

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    92.63

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. Tetrahydrouridine
    ALA2377825

    Name:
    4-(4-Amino-5-(2-nitrobenzoyl)thiazol-2-ylamino)-benzenesulfonamide

    Mol. Formula:
    C16H13N5O5S2

    M.W.:
    419.44

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    171.31

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. Tetrahydrouridine
    ALA4740339

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-([2-(pyridin-4-yl)pyrimidin-4-yl]methoxy)phenyl)propanoic acid

    Mol. Formula:
    C43H39ClFN7O6S

    M.W.:
    836.35

    Type:
    Unknown

    AlogP:
    7.85

    Polar Surface Area:
    149.06

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  4. Tetrahydrouridine
    ALA4740424

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-phenylpropanoic acid

    Mol. Formula:
    C33H33ClN4O4S2

    M.W.:
    649.24

    Type:
    Unknown

    AlogP:
    6.75

    Polar Surface Area:
    88.02

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. Tetrahydrouridine
    ALA4740568

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-[(2-methoxypyrimidin-4-yl)methoxy]phenyl)propanoic acid

    Mol. Formula:
    C39H38ClFN6O7S

    M.W.:
    789.29

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    145.40

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  6. Tetrahydrouridine
    ALA4742935

    Name:
    (2R)-2-([6-(5-Bromofuran-2-yl)-(5Sa)-5-(3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid

    Mol. Formula:
    C34H34BrClN4O6S

    M.W.:
    742.09

    Type:
    Unknown

    AlogP:
    7.05

    Polar Surface Area:
    110.39

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  7. Tetrahydrouridine
    ALA4743156

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-[(1-methyl-1H-pyrazol-5-yl)methoxy]phenyl)propanoic acid

    Mol. Formula:
    C40H40ClFN6O5S

    M.W.:
    771.31

    Type:
    Unknown

    AlogP:
    7.14

    Polar Surface Area:
    115.07

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. Tetrahydrouridine
    ALA4744005

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid

    Mol. Formula:
    C36H36ClFN4O5S

    M.W.:
    691.23

    Type:
    Unknown

    AlogP:
    6.84

    Polar Surface Area:
    97.25

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. Tetrahydrouridine
    ALA4744053

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-([2-(5-methoxy-2-methylpyridin-4-yl)pyrimidin-4-yl]methoxy)phenyl)propanoic acid

    Mol. Formula:
    C47H45ClFN7O6S

    M.W.:
    890.44

    Type:
    Unknown

    AlogP:
    8.58

    Polar Surface Area:
    145.15

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. Tetrahydrouridine
    ALA4744499

    Name:
    (2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid

    Mol. Formula:
    C34H34ClFN4O6S

    M.W.:
    681.19

    Type:
    Unknown

    AlogP:
    6.43

    Polar Surface Area:
    110.39

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS