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Compound Detail

CHEMBL5205890

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CN(Cc1ccccc1Cl)C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(C(=O)N(C)c2cccnc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205890
Phase Preclinical
Structure Type MOL
InChI Key XWCVQRBUKDNFAL-HEVIKAOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

746.4
MW (Da)
4.82
ALogP
6
HBA
3
HBD
144.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H52ClN7O5
MW 746.35
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness -1.32

Literature References

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

Data from ChEMBL 36 via Core Engine