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Compound Detail

CHEMBL378862

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O=c1c2ccccc2c(Cc2ccc(Cl)c(Cl)c2)nn1-c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378862
Phase Preclinical
Structure Type MOL
InChI Key AJGBXTNZRCJKSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.3
MW (Da)
5.19
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13Cl2N3O3
MW 426.26
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1D adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1A adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1B adrenergic receptor 1

Data from ChEMBL 36 via Core Engine