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Compound Detail

CHEMBL302813

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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)N(C)Cc1ccccc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302813
Phase Preclinical
Structure Type MOL
InChI Key IPRNQVXOYQDXOT-WHWDJVTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

549.7
MW (Da)
4.48
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H43N3O5
MW 549.71
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.24

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