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Compound Detail

CHEMBL4299916

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COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3ccccc3)cc1Br)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299916
Phase Preclinical
Structure Type MOL
InChI Key WBXLGRPEPUDTKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
4.40
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23BrNO3+
MW 453.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.40

Data from ChEMBL 36 via Core Engine