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Compound Detail

CHEMBL258493

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CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CNC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258493
Phase Preclinical
Structure Type MOL
InChI Key BCHZFGKHSKUQNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.19
ALogP
6
HBA
4
HBD
125.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4O5S
MW 410.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
18499453 10.1016/j.bmcl.2008.04.065 Procathepsin L 1

Data from ChEMBL 36 via Core Engine