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Compound Detail

CHEMBL555389

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Br.CC(=N)Nc1ccc(CC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL555389
Phase Preclinical
Structure Type MOL
InChI Key RVFXEWVBERQYTQ-UHFFFAOYSA-N
Parent Compound CHEMBL1195812
Active Moiety CHEMBL1195812
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
1.72
ALogP
2
HBA
3
HBD
73.2
PSA (Ų)
0.50
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 C10H13BrN2O2
MW 273.13
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.29

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