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Compound Detail

CHEMBL2368265

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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](CCC/N=C(\N)N[N+](=O)[O-])C(N)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368265
Phase Preclinical
Structure Type MOL
InChI Key IOQUUUGEVYJADN-BNJBZVRKSA-N
Parent Compound CHEMBL2368826
Active Moiety CHEMBL2368826
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
-2.13
ALogP
7
HBA
5
HBD
226.5
PSA (Ų)
0.04
QED
0
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 0.31

Literature References

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

Data from ChEMBL 36 via Core Engine