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Compound Detail

CHEMBL5597902

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C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(C(=O)OC(C)(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597902
Phase Preclinical
Structure Type MOL
InChI Key NPPKJBXRRXELRK-QWRGUYRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
1.80
ALogP
4
HBA
1
HBD
82.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23N3O3
MW 293.37
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
39002936 10.1016/j.bmcl.2024.129887 Cathepsin B 1
39002936 10.1016/j.bmcl.2024.129887 Cathepsin K 1
39002936 10.1016/j.bmcl.2024.129887 Procathepsin L 1
39002936 10.1016/j.bmcl.2024.129887 Cathepsin S 1

Data from ChEMBL 36 via Core Engine