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Compound Detail

CHEMBL48832

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

Basic Information

ChEMBL ID CHEMBL48832
Phase Preclinical
Structure Type MOL
InChI Key JWBXCSQZLLIOCI-GUBZILKMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
0.98
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.62
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 C12H24N2O3
MW 244.34
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1
3656360 10.1021/jm00393a031 Unchecked 1
3656360 10.1021/jm00393a031 No relevant target 1
7629809 10.1021/jm00014a022 Unchecked 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1

Data from ChEMBL 36 via Core Engine