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Compound Detail

CHEMBL305474

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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)Nc1ccccc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305474
Phase Preclinical
Structure Type MOL
InChI Key ZCTDWORJIUQSKC-XUFZRAOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
4.46
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39N3O5
MW 521.66
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.13

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