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Compound Detail

CHEMBL1650802

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CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650802
Phase Preclinical
Structure Type MOL
InChI Key ZYVJHLXUFUBLKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.55
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23NO4
MW 269.34
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
21142106 10.1021/jm101156y Outer membrane protein MIP 1
21142106 10.1021/jm101156y Peptidyl-prolyl cis-trans isomerase FKBP1A 1

Data from ChEMBL 36 via Core Engine