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Compound Detail

CHEMBL1497259

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O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1497259
Phase Preclinical
Structure Type MOL
InChI Key BOJZEOXLOZEZCS-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
4.26
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2N3O3
MW 406.27
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine