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Compound Detail

CHEMBL1851928

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N=c1ccc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)nn1CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1851928
Phase Preclinical
Structure Type MOL
InChI Key LZTHAJBUMOQDLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.38
ALogP
7
HBA
2
HBD
131.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O5
MW 408.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine