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Compound Detail

CHEMBL303505

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

Basic Information

ChEMBL ID CHEMBL303505
Phase Preclinical
Structure Type MOL
InChI Key OCXYWEQCQUASFH-HGYXGMMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
1.91
ALogP
5
HBA
3
HBD
127.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N3O5
MW 431.53
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.11

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