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Compound Detail

CHEMBL5184789

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CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184789
Phase Preclinical
Structure Type MOL
InChI Key PRKMDBABLVYBKY-ACHIHNKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

710.9
MW (Da)
3.46
ALogP
7
HBA
4
HBD
165.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H50N8O5
MW 710.88
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
35218994 10.1016/j.ejmech.2022.114211 20S proteasome 1

Data from ChEMBL 36 via Core Engine