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Compound Detail

CHEMBL499081

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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499081
Phase Preclinical
Structure Type MOL
InChI Key JWYJDCMJFRCPCR-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
0.77
ALogP
7
HBA
2
HBD
136.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O6
MW 319.27
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
19272773 10.1016/j.bmcl.2009.02.081 BGC-823 1
19272773 10.1016/j.bmcl.2009.02.081 Bel-7402 1
19272773 10.1016/j.bmcl.2009.02.081 KB 1
19272773 10.1016/j.bmcl.2009.02.081 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine