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Compound Detail

CHEMBL377872

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N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377872
Phase Preclinical
Structure Type MOL
InChI Key SGCGMORCWLEJNZ-UWVGGRQHSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
-1.19
ALogP
5
HBA
5
HBD
149.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16N6O3
MW 292.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.16

Activity Summary

EC50 2 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 2
34436882 10.1021/acs.jmedchem.1c00759 Neurolysin, mitochondrial 2

Data from ChEMBL 36 via Core Engine