Calvarial osteoblast

Name And Classification

ID:  ALA4296516

Type:  CELL-LINE

Target Relations

ALA IDRelationshipPref NameTarget Type

Associated Antibodies

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NameSpecificationsSpecies reactivityspeciesApplicationView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA1945732

    Name:
    biochenin A 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]

    Mol. Formula:
    C27H30O14

    M.W.:
    578.52

    Type:
    Small molecule

    AlogP:
    -1.18

    Polar Surface Area:
    217.97

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. Tetrahydrouridine
    ALA1945733

    Name:
    biochenin A 7-O-[beta-D-apiofuranosyl-(1->5)-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]

    Mol. Formula:
    C32H38O18

    M.W.:
    710.64

    Type:
    Small molecule

    AlogP:
    -2.72

    Polar Surface Area:
    276.89

    HBA:
    18

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. Tetrahydrouridine
    ALA1945735

    Name:
    Caviunin

    Mol. Formula:
    C19H18O8

    M.W.:
    374.35

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    107.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. Tetrahydrouridine
    ALA1945736

    Name:
    caviunin 7-O-beta-D-glucopyranoside

    Mol. Formula:
    C25H28O13

    M.W.:
    536.49

    Type:
    Small molecule

    AlogP:
    0.38

    Polar Surface Area:
    186.74

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. Tetrahydrouridine
    ALA1945737

    Name:
    caviunin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]

    Mol. Formula:
    C30H36O17

    M.W.:
    668.60

    Type:
    Small molecule

    AlogP:
    -1.16

    Polar Surface Area:
    245.66

    HBA:
    17

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  6. Tetrahydrouridine
    ALA1945881

    Name:
    (E)-4-methoxy-2-(3,4-dihydroxybenzylidene)-4-oxobutanoic acid

    Mol. Formula:
    C12H12O6

    M.W.:
    252.22

    Type:
    Small molecule

    AlogP:
    1.13

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. Tetrahydrouridine
    ALA2012071

    Name:
    Amylin-(1-8)-NH2

    Mol. Formula:
    C30H53N11O11S2

    M.W.:
    807.95

    Type:
    Protein

    AlogP:
    -6.61

    Polar Surface Area:
    382.38

    HBA:
    15

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  8. Tetrahydrouridine
    ALA2012072

    Name:
    (2S)-2,6-diamino-N-[(5R,8S,11S,14S,17S,20R)-5-{[(1S)-1-carbamoylethyl]carbamoyl}-17-(carbamoylmethyl)-8,14-bis[(1R)-1-hydroxyethyl]-11-methyl-7,10,13,16,19-pentaoxo-3,22-dithia-6,9,12,15,18-pentaazabicyclo[22.2.2]octacosa-1(26),24,27-trien-20-yl]hexanamide

    Mol. Formula:
    C38H61N11O11S2

    M.W.:
    912.11

    Type:
    Small molecule

    AlogP:
    -4.82

    Polar Surface Area:
    382.38

    HBA:
    15

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  9. Tetrahydrouridine
    ALA2012073

    Name:
    (4R,7S,10S,13S,16S,19R)-N-((S)-1-amino-1-oxopropan-2-yl)-16-(2-amino-2-oxoethyl)-19-((S)-2,6-diaminohexanamido)-7,13-bis((R)-1-hydroxyethyl)-10-methyl-6,9,12,15,18-pentaoxo-1,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22-icosahydrobenzo[v][1,20,4,7,10,13,16]dithiapentaazacyclotetracosine-4-carboxamide

    Mol. Formula:
    C38H61N11O11S2

    M.W.:
    912.11

    Type:
    Small molecule

    AlogP:
    -4.82

    Polar Surface Area:
    382.38

    HBA:
    15

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  10. Tetrahydrouridine
    ALA2012074

    Name:
    (6R,9S,12S,15S,18S,21R)-N-((S)-1-amino-1-oxopropan-2-yl)-18-(2-amino-2-oxoethyl)-21-((S)-2,6-diaminohexanamido)-9,15-bis((R)-1-hydroxyethyl)-12-methyl-8,11,14,17,20-pentaoxo-1,4-dithia-7,10,13,16,19-pentaazacyclodocosane-6-carboxamide

    Mol. Formula:
    C32H57N11O11S2

    M.W.:
    836.01

    Type:
    Small molecule

    AlogP:
    -6.52

    Polar Surface Area:
    382.38

    HBA:
    15

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS