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Compound Detail

CHEMBL4526408

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C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C2CCCCC2)CC1)NC(=O)CN1CCOCC1)C(=O)[C@@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4526408
Phase Preclinical
Structure Type MOL
InChI Key QXTARZYSNVSYGT-NORPNSNUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

638.9
MW (Da)
3.17
ALogP
7
HBA
3
HBD
129.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H54N4O6
MW 638.85
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27438186 10.1021/acs.jmedchem.6b00705 Proteasome Macropain subunit MB1 2
27438186 10.1021/acs.jmedchem.6b00705 Unchecked 1

Data from ChEMBL 36 via Core Engine