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Compound Detail

CHEMBL3319477

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COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)[C@@]2(C)CO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319477
Phase Preclinical
Structure Type MOL
InChI Key BMEKNPULKZSFNL-QYZGJDRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

638.8
MW (Da)
2.01
ALogP
8
HBA
3
HBD
138.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H50N4O7
MW 638.81
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
25006746 10.1021/jm500716s Proteasome subunit beta type-8 1
25006746 10.1021/jm500716s Unchecked 1

Data from ChEMBL 36 via Core Engine