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Compound Detail

CHEMBL211900

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COc1ccc(N(C)c2cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211900
Phase Preclinical
Structure Type MOL
InChI Key KYTLFMMVASKJBL-OQKWZONESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
3.01
ALogP
9
HBA
0
HBD
149.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N6O7
MW 406.36
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
16821795 10.1021/jm060022h HL-60 1

Data from ChEMBL 36 via Core Engine