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Choline transporter
Target Relations
ALA ID | Relationship | Pref Name | Target Type |
---|
Target Components
Description | Relationship | Accession |
High affinity choline transporter 1 | PROTEIN | Q8BGY9 |
Associated Recombinant Proteins
Associated Active Ligands
ALA125756Name:
1-Ethyl-1-(2-hydroxy-ethyl)-aziridinium chloride
Mol. Formula:
C6H14ClNO
M.W.:
151.64
Type:
Small molecule
AlogP:
-0.17
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.40
DETAILS
CLOSE
ALA123573Name:
1-Cyclopropyl-1-(2-hydroxy-ethyl)-aziridinium chloride
Mol. Formula:
C7H14ClNO
M.W.:
163.65
Type:
Small molecule
AlogP:
-0.03
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.42
DETAILS
CLOSE
ALA126202Name:
1-(2-Hydroxy-ethyl)-1-isobutyl-aziridinium chloride
Mol. Formula:
C8H18ClNO
M.W.:
179.69
Type:
Small molecule
AlogP:
0.47
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA340441Name:
1-(2-Hydroxy-ethyl)-1-isopropyl-aziridinium chloride
Mol. Formula:
C7H16ClNO
M.W.:
165.66
Type:
Small molecule
AlogP:
0.22
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.43
DETAILS
CLOSE
ALA125710Name:
1-(2-Hydroxy-ethyl)-1-propyl-aziridinium chloride
Mol. Formula:
C7H16ClNO
M.W.:
165.66
Type:
Small molecule
AlogP:
0.22
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA125711Name:
1-Butyl-1-(2-hydroxy-ethyl)-aziridinium chloride
Mol. Formula:
C8H18ClNO
M.W.:
179.69
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1209421Name:
N,N,N-trimethylbenzenaminium
Mol. Formula:
C9H14ClN
M.W.:
171.67
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
0.00
HBA:
0
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.52
DETAILS
CLOSE
ALA1209422Name:
3-hydroxy-N,N,N-trimethylpropan-1-aminium
Mol. Formula:
C6H16ClNO
M.W.:
153.65
Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.52
DETAILS
CLOSE
ALA1209423Name:
4-hydroxy-N,N,N-trimethylbutan-1-aminium
Mol. Formula:
C7H18ClNO
M.W.:
167.68
Type:
Small molecule
AlogP:
0.47
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1209424Name:
3-hydroxy-N,N-dimethylpropan-1-aminium
Mol. Formula:
C5H13NO
M.W.:
103.17
Type:
Small molecule
AlogP:
-0.07
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.54
DETAILS
CLOSE