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Compound Detail

CHEMBL451306

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CCCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]([C@H](O)C(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451306
Phase Preclinical
Structure Type BOTH
InChI Key NIZNODYUPDXRSS-YJQOBSRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

766.0
MW (Da)
1.90
ALogP
8
HBA
4
HBD
188.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H71N7O8
MW 766.04
Aromatic Rings 0
Heavy Atoms 54
NP-Likeness 1.23

Literature References

PubMed DOI Target Context # Activities
18798610 10.1021/jm800741n 3T3-L1 3

Data from ChEMBL 36 via Core Engine