Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1169434

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N=C(NCCC[C@@H](N)C(=O)N1C[C@@H](N)C[C@@H]1C(N)=O)N[N+](=O)[O-].O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169434
Phase Preclinical
Structure Type MOL
InChI Key FBLOOQCJQUJYQJ-ZJWYQBPBSA-N
Parent Compound CHEMBL1200281
Active Moiety CHEMBL1200281
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
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 C15H24F6N8O8
MW 558.39
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
14736250 10.1021/jm030297m Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine