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Compound Detail

CHEMBL347747

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CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347747
Phase Preclinical
Structure Type MOL
InChI Key UADSCOQPDXPUEA-MJGOQNOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
2.58
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.73
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 C21H33N3O3
MW 375.51
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
12459015 10.1021/jm020209i Cathepsin S 2

Data from ChEMBL 36 via Core Engine