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Compound Detail

CHEMBL65845

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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)NCC1CCCCC1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65845
Phase Preclinical
Structure Type MOL
InChI Key NLBNLELPGYJXTB-ISTZZABQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

541.7
MW (Da)
4.51
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.34
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 C31H47N3O5
MW 541.73
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.03

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