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Compound Detail

CHEMBL1462480

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CCCCN(CCCC)CCCNC(=O)C1CC(c2cccc([N+](=O)[O-])c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1462480
Phase Preclinical
Structure Type MOL
InChI Key TVBRUJPZIZRJLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.50
ALogP
6
HBA
1
HBD
97.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N4O4
MW 404.51
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.58

Data from ChEMBL 36 via Core Engine