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Compound Detail

CHEMBL293494

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CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293494
Phase Preclinical
Structure Type MOL
InChI Key ZKQOUHVVXABNDG-IUCAKERBSA-N
0
Targets
3
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
0.35
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.63
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 C11H20N2O3
MW 228.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.20

Activity Summary

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

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
3656360 10.1021/jm00393a031 Unchecked 1
3656360 10.1021/jm00393a031 No relevant target 1
14667225 10.1021/jm030976x Solute carrier family 15 member 1 1
7629809 10.1021/jm00014a022 Unchecked 1

Data from ChEMBL 36 via Core Engine