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Compound Detail

CHEMBL540555

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

Basic Information

ChEMBL ID CHEMBL540555
Phase Preclinical
Structure Type MOL
InChI Key JXTQYGCIFHWZSI-UHFFFAOYSA-N
Parent Compound CHEMBL1190283
Active Moiety CHEMBL1190283
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.79
ALogP
2
HBA
3
HBD
73.2
PSA (Ų)
0.48
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 C9H11ClN2O2
MW 214.65
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.33

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