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Compound Detail

CHEMBL1945754

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CC(C)c1nccn1CC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1945754
Phase Preclinical
Structure Type MOL
InChI Key VWWBCENTSYYVFX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.89
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O
MW 228.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.31

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase, inducible 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 3 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine