Menin
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ID: ALA1615381
Type: SINGLE PROTEIN
Synonyms: MEN1 | Menin | SCG2
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Unclassified protein
ALA ID | Relationship | Pref Name | Target Type |
---|---|---|---|
ALA2093861 | SUBSET OF | Menin/Histone-lysine N-methyltransferase MLL | PROTEIN-PROTEIN INTERACTION |
Description | Relationship | Accession |
---|---|---|
Menin | PROTEIN | O00255 |
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-benzyl-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclopropane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C39H60N10O6
M.W.:
764.97
Type:
Small molecule
AlogP:
0.28
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.11
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-benzyl-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C40H62N10O6
M.W.:
779.00
Type:
Small molecule
AlogP:
0.67
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.11
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-benzyl-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclopentane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C41H64N10O6
M.W.:
793.03
Type:
Small molecule
AlogP:
1.06
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-(cyclohexylmethyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C40H68N10O6
M.W.:
785.05
Type:
Small molecule
AlogP:
1.40
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.11
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-(2-chlorobenzyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C40H61ClN10O6
M.W.:
813.44
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-(3-chlorobenzyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C40H61ClN10O6
M.W.:
813.44
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-(4-chlorobenzyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C40H61ClN10O6
M.W.:
813.44
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-6'-(3-methylbenzyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C41H64N10O6
M.W.:
793.03
Type:
Small molecule
AlogP:
0.98
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
Name:
1-(3-((6'S,9'S,19a'S,25'S,30a'S)-9'-amino-5',8',19',24',27',30'-hexaoxo-6'-(3-(trifluoromethyl)benzyl)octacosahydro-1'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosine]-25'-yl)propyl)guanidine
Mol. Formula:
C41H61F3N10O6
M.W.:
847.00
Type:
Small molecule
AlogP:
1.69
Polar Surface Area:
244.94
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12