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Compound Detail

CHEMBL1198346

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Cc1n(-c2ccccc2)c2c([n+]1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198346
Phase Preclinical
Structure Type MOL
InChI Key VHQGWTWQTHTGRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.39
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N2O2+
MW 303.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2

Data from ChEMBL 36 via Core Engine