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Compound Detail

CHEMBL5180560

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C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180560
Phase Preclinical
Structure Type MOL
InChI Key YLKMLTBSIMGYTI-GIBUXBDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

697.9
MW (Da)
4.36
ALogP
6
HBA
5
HBD
161.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H51N7O5
MW 697.88
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -1.18

Literature References

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

Data from ChEMBL 36 via Core Engine