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Compound Detail

CHEMBL408078

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CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408078
Phase Preclinical
Structure Type MOL
InChI Key IWYAUOXXVNIXMN-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.01
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O5
MW 334.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.88

Literature References

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

Data from ChEMBL 36 via Core Engine