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Compound Detail

CHEMBL1548634

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O=C(Cn1cnc2ccccc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1548634
Phase Preclinical
Structure Type MOL
InChI Key PALXXAQBOPMQNB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.92
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.66
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 C15H12N2O
MW 236.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.43

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