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Compound Detail

CHEMBL441888

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CCCc1ccc(C(=O)CCC(=O)N[C@H]2CCOC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441888
Phase Preclinical
Structure Type MOL
InChI Key MMKGKMFJBOUBAN-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.03
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
18083553 10.1016/j.bmcl.2007.11.095 PhzR 2

Data from ChEMBL 36 via Core Engine