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Compound Detail

CHEMBL261634

IMINORIBITOL
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OC[C@H]1NC[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261634
Name IMINORIBITOL
Phase Preclinical
Structure Type MOL
InChI Key OQEBIHBLFRADNM-MROZADKFSA-N
5
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

133.2
MW (Da)
-2.33
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO3
MW 133.15
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 2.76

Activity Summary

IC50 10 meas. best 4.77
Ki 5 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase
CHEMBL2308
 Ki 5.9 5.9 1260.0 1
Unchecked
CHEMBL612545
 Ki 5.22 5.11 6000.0 2
IAG-nucleoside hydrolase
CHEMBL6134
 Ki 5.21 5.21 6100.0 1
Sucrase-isomaltase, intestinal
CHEMBL3114
 IC50 4.77 4.395 17000.0 2
Beta-mannosidase
CHEMBL3431
 IC50 4.75 4.75 18000.0 1
Unchecked
CHEMBL612545
 IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase Ki = 1260.0 nM 5.9 Inhibition of human ER alpha mannosidase 1 23151473
Unchecked Ki = 6000.0 nM 5.22 Inhibition of Trypanosoma vivax Inosine-adenosine-guanosine-nucleoside hydrolase 20194690
IAG-nucleoside hydrolase Ki = 6100.0 nM 5.21 Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichi... 17582660
Unchecked Ki = 10000.0 nM 5.0 Inhibition of Crithidia fasciculata nucleoside hydrolase 30627387
Sucrase-isomaltase, intestinal IC50 = 17000.0 nM 4.77 Inhibition of rat intestinal isomaltase assessed as glucose release by Glucose B... 11858756
Beta-mannosidase IC50 = 18000.0 nM 4.75 Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release ... 11858756
Unchecked IC50 = 27000.0 nM 4.57 Inhibition of rabbit muscle glycogen phosphorylase b 18258441
Sucrase-isomaltase, intestinal IC50 = 95000.0 nM 4.02 Inhibition of rat intestinal sucrase assessed as glucose release by Glucose B-te... 11858756

Literature References

PubMed DOI Target Context # Activities
23151473 10.1016/j.bmc.2012.10.011 Unchecked 4
11858756 10.1021/np010360f Unchecked 4
22079865 10.1016/j.bmc.2011.07.053 Jurkat 2
11858756 10.1021/np010360f Sucrase-isomaltase, intestinal 2
20194690 10.1128/aac.01787-09 Unchecked 1
30627387 10.1039/C8MD00372F Unchecked 1
23151473 10.1016/j.bmc.2012.10.011 Alpha-mannosidase 2 1
22079865 10.1016/j.bmc.2011.07.053 PBMC 1
22079865 10.1016/j.bmc.2011.07.053 SK-BR-3 1
20194690 10.1128/aac.01787-09 Plasmodium falciparum 1
20194690 10.1128/aac.01787-09 Leishmania infantum 1
20194690 10.1128/aac.01787-09 Trypanosoma cruzi 1
20194690 10.1128/aac.01787-09 Trypanosoma brucei brucei 1
18258441 10.1016/j.bmc.2008.01.032 Unchecked 1
11858756 10.1021/np010360f Beta-galactosidase 1
11858756 10.1021/np010360f Beta-mannosidase 1
11858756 10.1021/np010360f Tissue alpha-L-fucosidase 1
11858756 10.1021/np010360f Alpha-galactosidase 1
11858756 10.1021/np010360f Acidic alpha-glucosidase 1
17582660 10.1016/j.ejmech.2007.03.027 IAG-nucleoside hydrolase 1

Data from ChEMBL 36 via Core Engine