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Compound Detail

CHEMBL4596291

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C[n+]1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3cc[n+](C)cc3)ncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596291
Phase Preclinical
Structure Type MOL
InChI Key XNSWWTNMUCWLJY-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
-0.35
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N8O2+2
MW 404.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine