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Compound Detail

CHEMBL314532

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NCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314532
Phase Preclinical
Structure Type MOL
InChI Key IEFJWDNGDZAYNZ-BYPYZUCNSA-N
0
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-1.62
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2O5
MW 204.18
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.38

Activity Summary

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

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
- 10.1039/C5MD00575B Solute carrier family 15 member 1 2
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1
21621881 10.1016/j.ejmech.2011.05.007 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine