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Compound Detail

CHEMBL214947

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O=c1oc2c3c4c(cc2cc1[N+](=O)[O-])CCCN4CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214947
Phase Preclinical
Structure Type MOL
InChI Key NEQAGCXSNTWDDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.40
ALogP
5
HBA
0
HBD
76.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O4
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
16793260 10.1016/j.bmcl.2006.06.007 U-87 MG 1
16793260 10.1016/j.bmcl.2006.06.007 B16 1
16793260 10.1016/j.bmcl.2006.06.007 HeLa 1
16793260 10.1016/j.bmcl.2006.06.007 DLD-1 1
16793260 10.1016/j.bmcl.2006.06.007 SiHa 1
16793260 10.1016/j.bmcl.2006.06.007 NIH3T3 1
16793260 10.1016/j.bmcl.2006.06.007 HUVEC 1

Data from ChEMBL 36 via Core Engine