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Compound Detail

CHEMBL70171

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COc1ccc2c(c1)C(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC(c1ccccc1)c1ccccc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70171
Phase Preclinical
Structure Type MOL
InChI Key WDRMSCUAHDEKCC-SLEUMJEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

611.8
MW (Da)
5.72
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H45N3O5
MW 611.78
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
9871656 10.1016/s0960-894x(98)00015-8 Proteasome 1
9871656 10.1016/s0960-894x(98)00015-8 Calpain 1 1

Data from ChEMBL 36 via Core Engine