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Compound Detail

CHEMBL459119

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O=C1c2[nH]cc3c2C(=[N+](O)CC3)c2c(-c3ccc(O)cc3)c[nH]c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459119
Phase Preclinical
Structure Type MOL
InChI Key LWAKZGNGUQUICK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
2.06
ALogP
3
HBA
4
HBD
92.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H14N3O3+
MW 320.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.79

Data from ChEMBL 36 via Core Engine