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Compound Detail

CHEMBL299835

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CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299835
Phase Preclinical
Structure Type MOL
InChI Key QJKMCQRFHJRIPU-XDTLVQLUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
0.88
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.60
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 C15H22N2O4
MW 294.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.43

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
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1

Data from ChEMBL 36 via Core Engine