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Compound Detail

CHEMBL175737

GLYCYLSARCOSINE
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CN(CC(=O)O)C(=O)CN

Basic Information

ChEMBL ID CHEMBL175737
Name GLYCYLSARCOSINE
Phase Preclinical
Structure Type MOL
InChI Key VYAMLSCELQQRAE-UHFFFAOYSA-N
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
-1.51
ALogP
3
HBA
2
HBD
83.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H10N2O3
MW 146.15
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.46

Activity Summary

EC50 3 meas. best 4.41
Ki 3 meas. best 4.19
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 15 member 2
CHEMBL1743125
EC50 4.41 4.41 39000.0 1
Solute carrier family 15 member 2
CHEMBL1743125
Ki 4.19 4.19 64000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22490229 10.1124/dmd.111.044263 ADMET 8
22584254 10.1124/dmd.112.044990 Solute carrier family 15 member 1 7
15658873 10.1021/jm049711o ADMET 5
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
22490229 10.1124/dmd.111.044263 Solute carrier family 15 member 1 4
9610386 10.1006/bbrc.1998.8628 Solute carrier family 15 member 1 2
7592745 10.1074/jbc.270.43.25672 Solute carrier family 15 member 2 2
10087037 - Solute carrier family 15 member 1 2
9610386 10.1006/bbrc.1998.8628 Solute carrier family 15 member 2 2
9755889 10.1023/a:1011945420235 Solute carrier family 15 member 1 2
22584254 10.1124/dmd.112.044990 ADMET 2
11004485 10.1016/s0167-4781(00)00101-9 Solute carrier family 15 member 1 2
9190878 - Solute carrier family 15 member 1 2
12132663 10.1248/bpb.25.885 Solute carrier family 15 member 1 2
21458999 10.1016/j.bmc.2011.03.011 Caco-2 2
- 10.5281/zenodo.7360449 Solute carrier family 15 member 2 2
9753615 10.1006/bbrc.1998.9298 Solute carrier family 15 member 1 1
9374833 10.1152/ajprenal.1997.273.5.f706 Solute carrier family 15 member 2 1
20190787 10.1038/nrd3028 Solute carrier family 15 member 1 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1

Data from ChEMBL 36 via Core Engine