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Compound Detail

CHEMBL517670

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CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C[C@@H](C)CC)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517670
Phase Preclinical
Structure Type MOL
InChI Key VWKYQRFTUODEPK-NUQKRPODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
2.14
ALogP
6
HBA
4
HBD
156.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H44N4O6
MW 544.69
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
18620856 10.1016/j.bmcl.2008.06.054 Macrophage 1
18620856 10.1016/j.bmcl.2008.06.054 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine