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Compound Detail

CHEMBL3039681

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O=[N+]([O-])c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3cc([N+](=O)[O-])ccc32)NCCCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039681
Phase Preclinical
Structure Type MOL
InChI Key BNSNNXCHOXOLEY-XDHTVYJESA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
5.26
ALogP
6
HBA
2
HBD
118.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N6O4+2
MW 516.60
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine