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Compound Detail

CHEMBL68025

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N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68025
Phase Preclinical
Structure Type MOL
InChI Key UHDSMWWEIRIUER-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.23
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O2
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
8423594 10.1021/jm00054a004 Leukotriene A-4 hydrolase 1

Data from ChEMBL 36 via Core Engine