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Compound Detail

CHEMBL539802

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Br.CC(=N)Nc1ccc(CC(=O)N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539802
Phase Preclinical
Structure Type MOL
InChI Key WWGUROGIPSUDIP-UHFFFAOYSA-N
Parent Compound CHEMBL1189945
Active Moiety CHEMBL1189945
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.50
ALogP
3
HBA
2
HBD
65.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20BrN3O2
MW 342.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
9667974 10.1021/jm980072p Nitric oxide synthase, inducible 1
9667974 10.1021/jm980072p Nitric oxide synthase 3 1
9667974 10.1021/jm980072p Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine