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Compound Detail

CHEMBL55433

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CC[C@H](C)[C@H](NC(=O)CN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55433
Phase Preclinical
Structure Type MOL
InChI Key KGVHCTWYMPWEGN-FSPLSTOPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
-0.44
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H16N2O3
MW 188.23
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3656360 10.1021/jm00393a031 Unchecked 1
3656360 10.1021/jm00393a031 No relevant target 1
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1

Data from ChEMBL 36 via Core Engine