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Compound Detail

CHEMBL80548

GLYCYL PROLINE
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NCC(=O)N1CCC[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL80548
Name GLYCYL PROLINE
Phase Preclinical
Structure Type MOL
InChI Key KZNQNBZMBZJQJO-YFKPBYRVSA-N
0
Targets
6
Activities
3
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
-0.98
ALogP
3
HBA
2
HBD
83.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2O3
MW 172.18
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.45

Activity Summary

IC50 3 meas.
Ki 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
9755050 10.1152/ajpcell.1998.275.4.c967 Solute carrier family 15 member 2 1
22096083 10.1124/dmd.111.041665 No relevant target 1
22096083 10.1124/dmd.111.041665 ADMET 1
25016232 10.1016/j.ejmech.2014.07.015 Angiotensin-converting enzyme 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B1 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B3 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 2B1 1
9835627 10.1172/jci4179 Solute carrier family 15 member 1 1
7896779 10.1074/jbc.270.12.6456 Solute carrier family 15 member 1 1
3656360 10.1021/jm00393a031 Unchecked 1
20190787 10.1038/nrd3028 Solute carrier family 15 member 1 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1
15974593 10.1021/jm048982w Solute carrier family 15 member 1 1
8360884 10.1021/jm00068a017 Angiotensin-converting enzyme 1
7629809 10.1021/jm00014a022 Unchecked 1
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
14667225 10.1021/jm030976x Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine