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Compound Detail

CHEMBL260818

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O=C(N[C@@H](CCc1ccccc1)C(=O)c1ncco1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260818
Phase Preclinical
Structure Type MOL
InChI Key YJMOCDXDMBJTGO-RPWUZVMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
3.81
ALogP
6
HBA
1
HBD
101.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N3O5
MW 495.62
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.37

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