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Compound Detail

CHEMBL1740266

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C[n+]1c(-c2ccccc2)cc2c(=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1740266
Phase Preclinical
Structure Type MOL
InChI Key WBXVUIPSHWHTOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.04
ALogP
3
HBA
0
HBD
51.4
PSA (Ų)
0.27
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 C24H18N3O2+
MW 380.43
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine