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Compound Detail

CHEMBL4226084

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N=C(NO)c1ccc(-c2ccc(-c3ccccc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226084
Phase Preclinical
Structure Type MOL
InChI Key JNLBHYXXBYCBII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.92
ALogP
3
HBA
3
HBD
69.2
PSA (Ų)
0.39
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 C17H14N2O2
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
29567345 10.1016/j.bmcl.2018.03.025 Plasmodium falciparum 1
29567345 10.1016/j.bmcl.2018.03.025 Ribosyldihydronicotinamide dehydrogenase [quinone] 1

Data from ChEMBL 36 via Core Engine