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Compound Detail

CHEMBL1200281

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N=C(NCCC[C@@H](N)C(=O)N1C[C@@H](N)C[C@@H]1C(N)=O)N[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200281
Phase Preclinical
Structure Type MOL
InChI Key QLHNGUCBVCLFHA-XLPZGREQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
-3.19
ALogP
7
HBA
6
HBD
206.5
PSA (Ų)
0.09
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22N8O4
MW 330.35
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine