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Compound Detail

CHEMBL1169433

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N=C(NCCC[C@H](NC(=O)[C@H]1C[C@H](N)CN1)C(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 CHEMBL1169433
Phase Preclinical
Structure Type MOL
InChI Key YFHSUHTUGQFSOG-BNJBZVRKSA-N
Parent Compound CHEMBL1200280
Active Moiety CHEMBL1200280
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
-3.27
ALogP
7
HBA
7
HBD
201.3
PSA (Ų)
0.08
QED
1
Ro5 Violations
8
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 0.08

Literature References

PubMed DOI Target Context # Activities
14736250 10.1021/jm030297m Nitric oxide synthase 3 2
14736250 10.1021/jm030297m Nitric oxide synthase 1 2

Data from ChEMBL 36 via Core Engine