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Compound Detail

CHEMBL455887

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O=C1C2=C3C4=[N+](CCc5c(Br)[nH]c1c54)C1C(O)C(Br)=CC3(CCN2)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455887
Phase Preclinical
Structure Type MOL
InChI Key GSJWSGXFLRPUJH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.1
MW (Da)
0.96
ALogP
4
HBA
4
HBD
88.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16Br2N3O3+
MW 482.15
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 3.07

Data from ChEMBL 36 via Core Engine