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Compound Detail

CHEMBL382777

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

Basic Information

ChEMBL ID CHEMBL382777
Phase Preclinical
Structure Type MOL
InChI Key XUUXCWCKKCZEAW-YFKPBYRVSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
-2.43
ALogP
4
HBA
5
HBD
156.8
PSA (Ų)
0.19
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 C8H17N5O3
MW 231.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.01

Activity Summary

EC50 1 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

Data from ChEMBL 36 via Core Engine