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Compound Detail

CHEMBL229737

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CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)C(C)c1ccc(CC(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229737
Phase Preclinical
Structure Type MOL
InChI Key SEIAPNZQAXURTQ-XDOYNYLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.79
ALogP
7
HBA
0
HBD
103.5
PSA (Ų)
0.14
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29N3O6
MW 395.46
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
17509888 10.1016/j.bmc.2007.05.009 Rattus norvegicus 2
17509888 10.1016/j.bmc.2007.05.009 Unchecked 2
17509888 10.1016/j.bmc.2007.05.009 Prostaglandin G/H synthase 1 1
17509888 10.1016/j.bmc.2007.05.009 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine