ID: ALA3563
Type: SINGLE PROTEIN
Synonyms: 3.4.22.51 | Cruzaine | Cruzipain | Major cysteine proteinase
Organism: Trypanosoma cruzi
Species Group: Trypanosoma cruzi
Protein Target Classification: Enzyme / Protease / Cysteine protease / Cysteine protease CA clan / Cysteine protease C1A family
Description | Relationship | Accession |
---|---|---|
Cruzipain | PROTEIN | P25779 |
Name:
Quinoline-3-carboxylic acid [1-(4-bromo-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C15H10BrN3OS
M.W.:
360.24
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
54.35
HBA:
4
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
Name:
2-Hydroxy-benzoic acid [1-quinolin-4-yl-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C17H13N3O2
M.W.:
291.31
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
74.58
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
Name:
Benzoic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C20H19N3O
M.W.:
317.39
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
44.70
HBA:
3
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
Name:
3,4-Dihydroxy-benzoic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C20H19N3O3
M.W.:
349.39
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
85.16
HBA:
5
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
Name:
Quinoline-4-carboxylic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C23H20N4O
M.W.:
368.44
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
57.59
HBA:
4
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
Name:
2,4-Dimethoxy-benzoic acid [1-furan-3-yl-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C14H14N2O4
M.W.:
274.28
Type:
Small molecule
AlogP:
2.06
Polar Surface Area:
73.06
HBA:
5
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
Name:
5-[(3-Nitro-benzoyl)-hydrazonomethyl]-furan-2-carboxylic acid
Mol. Formula:
C13H9N3O6
M.W.:
303.23
Type:
Small molecule
AlogP:
1.65
Polar Surface Area:
135.04
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
Name:
2-Hydroxy-benzoic acid [1-[5-(4-chloro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C18H13ClN2O3
M.W.:
340.77
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
74.83
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
Name:
3-Hydroxy-naphthalene-2-carboxylic acid [1-[5-(2-chloro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide
Mol. Formula:
C22H15ClN2O3
M.W.:
390.83
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
74.83
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37