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Compound Detail

CHEMBL434893

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CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434893
Phase Preclinical
Structure Type MOL
InChI Key LOOQRWJXBHMFCJ-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
2.19
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.70
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 C20H31N3O3
MW 361.49
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.08

Literature References

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

Data from ChEMBL 36 via Core Engine