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

CHEMBL1169424

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
O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169424
Phase Preclinical
Structure Type MOL
InChI Key IOQUUUGEVYJADN-ZJWYQBPBSA-N
Parent Compound CHEMBL1200256
Active Moiety CHEMBL1200256
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
-1.92
ALogP
7
HBA
6
HBD
224.0
PSA (Ų)
0.04
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22F6N10O8
MW 584.39
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
14736250 10.1021/jm030297m Nitric oxide synthase 3 2

Data from ChEMBL 36 via Core Engine