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Compound Detail

CHEMBL165544

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N[C@@H](C[C@@H](CCCCc1ccccc1)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165544
Phase Preclinical
Structure Type MOL
InChI Key NFODRZCMLOPSLV-OLZOCXBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.90
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO4
MW 279.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
9871538 10.1016/s0960-894x(98)00091-2 Unchecked 1

Data from ChEMBL 36 via Core Engine