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Compound Detail

CHEMBL542909

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CC(=N)Nc1ccc(C(=O)OC(C)(C)C)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542909
Phase Preclinical
Structure Type MOL
InChI Key MZSKEWTWXRJVNU-UHFFFAOYSA-N
Parent Compound CHEMBL1191767
Active Moiety CHEMBL1191767
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.05
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19ClN2O2
MW 270.76
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.44

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