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Compound Detail

CHEMBL262621

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CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C)C(=O)c1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262621
Phase Preclinical
Structure Type MOL
InChI Key YZMCWHKIJBLPLG-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.60
ALogP
6
HBA
1
HBD
101.7
PSA (Ų)
0.58
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 C25H35N3O5
MW 457.57
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
18053726 10.1016/j.bmc.2007.11.015 Cathepsin S 1

Data from ChEMBL 36 via Core Engine