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Compound Detail

CHEMBL304393

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CC(C)C[C@H](/N=C(\S)[C@H](O)[C@H](N)Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304393
Phase Preclinical
Structure Type MOL
InChI Key RIXMIOPSNNGXFZ-HZSPNIEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.74
ALogP
4
HBA
4
HBD
95.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O3S
MW 324.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.34

Literature References

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

Data from ChEMBL 36 via Core Engine