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Compound Detail

CHEMBL545256

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COC(=O)Cc1ccc(NC(C)=N)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL545256
Phase Preclinical
Structure Type MOL
InChI Key YCOLCGJIHBAWQL-UHFFFAOYSA-N
Parent Compound CHEMBL1193790
Active Moiety CHEMBL1193790
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.81
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.45
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 C11H15ClN2O2
MW 242.71
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.36

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