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Compound Detail

CHEMBL4301486

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N=C(N)c1ccc(OCCOCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301486
Phase Preclinical
Structure Type MOL
InChI Key GDSJEVSAQFKYII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
1.55
ALogP
9
HBA
4
HBD
213.7
PSA (Ų)
0.13
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O7
MW 432.39
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine