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Compound Detail

CHEMBL3356982

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O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(=C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3356982
Phase Preclinical
Structure Type MOL
InChI Key YPMCQIMRFWCKHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.5
MW (Da)
5.15
ALogP
8
HBA
0
HBD
109.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N2O8
MW 502.48
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
25282655 10.1016/j.bmc.2014.09.012 Monoglyceride lipase 1
25282655 10.1016/j.bmc.2014.09.012 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine