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Compound Detail

CHEMBL2316465

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CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nccs1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316465
Phase Preclinical
Structure Type BOTH
InChI Key ZJLKYVHHHCVNKW-MUGJNUQGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
2.27
ALogP
8
HBA
4
HBD
155.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H41N5O6S
MW 551.71
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.11

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23245752 10.1016/j.bmc.2012.11.017 Unchecked 2

Data from ChEMBL 36 via Core Engine