ID: ALA2047
Type: SINGLE PROTEIN
Synonyms: BAR | Bile acid receptor | Farnesoid X-activated receptor | Farnesol receptor HRR-1 | FXR | HRR1 | NR1H4 | Nuclear receptor subfamily 1 group H member 4 | Retinoid X receptor-interacting protein 14 | RIP14 | RXR-interacting protein 14
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Transcription factor / Nuclear receptor / Nuclear hormone receptor subfamily 1 / Nuclear hormone receptor subfamily 1 group H / Nuclear hormone receptor subfamily 1 group H member 4
Description | Relationship | Accession |
---|---|---|
Bile acid receptor | PROTEIN | Q96RI1 |
Name:
3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H23Cl2NO4
M.W.:
508.40
Type:
Small molecule
AlogP:
8.02
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
Name:
3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-methyl-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C29H25Cl2NO4
M.W.:
522.43
Type:
Small molecule
AlogP:
8.53
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
Name:
3-(2-{2-Chloro-4-[3-(2,6-dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H22Cl3NO4
M.W.:
542.85
Type:
Small molecule
AlogP:
8.87
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
Name:
3-(2-{4-[3-(2-Bromo-6-chloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-chloro-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H22BrCl2NO4
M.W.:
587.30
Type:
Small molecule
AlogP:
8.98
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
Name:
3-(2-{2-Chloro-4-[3-(2,6-dichloro-benzyl)-5-ethyl-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H22Cl3NO4
M.W.:
542.85
Type:
Small molecule
AlogP:
8.24
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
Name:
3-(2-{2-Chloro-4-[5-ethyl-3-(2-trifluoromethoxy-phenyl)-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H21ClF3NO5
M.W.:
543.93
Type:
Small molecule
AlogP:
7.90
Polar Surface Area:
81.79
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
Name:
3-(2-{2-Chloro-4-[5-ethyl-3-(2-fluoro-6-trifluoromethyl-phenyl)-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C28H20ClF4NO4
M.W.:
545.92
Type:
Small molecule
AlogP:
8.16
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
Name:
4-(2-{4-[3-(2,6-Dichloro-phenyl)-5-ethyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C29H25Cl2NO4
M.W.:
522.43
Type:
Small molecule
AlogP:
8.28
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
Name:
4-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C30H27Cl2NO4
M.W.:
536.46
Type:
Small molecule
AlogP:
8.84
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
Name:
3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid
Mol. Formula:
C30H27Cl2NO4
M.W.:
536.46
Type:
Small molecule
AlogP:
8.84
Polar Surface Area:
72.56
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23