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Compound Detail

CHEMBL358695

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

Basic Information

ChEMBL ID CHEMBL358695
Phase Preclinical
Structure Type MOL
InChI Key LPKLZMYDIQKCTA-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.47
ALogP
4
HBA
2
HBD
94.5
PSA (Ų)
0.67
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 C22H32N4O3
MW 400.52
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.82

Literature References

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

Data from ChEMBL 36 via Core Engine