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HMEC

Name And Classification

ID:  ALA614734

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  HMEC

Description:  HMEC (Microvascular endothelial cells)

Source tissue:  Microvascular endothelial cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Experimental Factor Ontology:  EFO_0001188

Cell Ontology ID:  CL_2000008

Associated Active Ligands

  1. Tetrahydrouridine
    ALA186986

    Name:
    (4S,8S,11S,15S,18S,20R)-12,15-Diisobutyl-9-(1-methoxy-1H-indol-3-ylmethyl)-4,10,16,21-tetramethyl-3-(S)-methyl-6,18-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-2,5,8,11,14,17,20-heptaone

    Mol. Formula:
    C51H83N7O9

    M.W.:
    938.26

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    188.69

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. Tetrahydrouridine
    ALA184339

    Name:
    (3S,6S,9S,12S,15S,18S,21R)-12,15-Diisobutyl-9-(1-methoxy-1H-indol-3-ylmethyl)-3,4,10,16,21-pentamethyl-6,18-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-2,8,11,14,17,20-hexaone

    Mol. Formula:
    C51H85N7O8

    M.W.:
    924.28

    Type:
    Small molecule

    AlogP:
    6.14

    Polar Surface Area:
    171.62

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. Tetrahydrouridine
    ALA360864

    Name:
    (5S,8S,12S,15S,19S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-20-(S)-methyl-7,13,19-trimethyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone

    Mol. Formula:
    C50H83N7O8

    M.W.:
    910.25

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    171.62

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. Tetrahydrouridine
    ALA363016

    Name:
    (2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-2,7,13,19,20-pentamethyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone

    Mol. Formula:
    C51H85N7O8

    M.W.:
    924.28

    Type:
    Small molecule

    AlogP:
    6.14

    Polar Surface Area:
    171.62

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. Tetrahydrouridine
    ALA360865

    Name:
    (5S,8S,12S,15S,19S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-2,7,13,19-tetramethyl-20-(S)-methyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone

    Mol. Formula:
    C51H85N7O8

    M.W.:
    924.28

    Type:
    Small molecule

    AlogP:
    6.14

    Polar Surface Area:
    171.62

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. Tetrahydrouridine
    ALA364599

    Name:
    (3S,6S,9S,12S,15R,18S,21S)-6,9-Diisobutyl-3-(1-methoxy-1H-indol-3-ylmethyl)-4,10,15,18,19-pentamethyl-12,21-bis-((R)-2-methyl-hexyl)-1,4,7,10,13,16,19heptaaza-cyclohenicosane-2,5,8,11,14,17-hexaone

    Mol. Formula:
    C51H86N8O7

    M.W.:
    923.30

    Type:
    Small molecule

    AlogP:
    5.71

    Polar Surface Area:
    174.42

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. Tetrahydrouridine
    ALA418842

    Name:
    (E)-S-2-acetamidoethyl O-ethyl 4-hydroxystyrylphosphonothioate

    Mol. Formula:
    C14H20NO4PS

    M.W.:
    329.36

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    75.63

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. Tetrahydrouridine
    ALA116103

    Name:
    (E)-S-2-acetamidoethyl O-ethyl 4-hydroxy-3-methoxystyrylphosphonothioate

    Mol. Formula:
    C15H22NO5PS

    M.W.:
    359.38

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    84.86

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  9. Tetrahydrouridine
    ALA114479

    Name:
    (E)-S-2-acetamidoethyl O-ethyl 4-hydroxy-3,5-dimethoxystyrylphosphonothioate

    Mol. Formula:
    C16H24NO6PS

    M.W.:
    389.41

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    94.09

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. Tetrahydrouridine
    ALA324600

    Name:
    (E)-S-2-acetamidoethyl-O-ethyl-2-(4-methoxyphenyl)-vinylphosphonate

    Mol. Formula:
    C15H22NO4PS

    M.W.:
    343.38

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS