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Compound Detail

CHEMBL253097

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COc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253097
Phase Preclinical
Structure Type MOL
InChI Key LGLKATODTQDQGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.2
MW (Da)
4.00
ALogP
5
HBA
1
HBD
98.5
PSA (Ų)
0.48
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 C17H12Cl2N2O5
MW 395.20
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
18053713 10.1016/j.bmcl.2007.11.045 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine