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Compound Detail

CHEMBL1789288

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COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789288
Phase Preclinical
Structure Type MOL
InChI Key UGKHHOBLFDOSPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.46
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22NO5+
MW 476.51
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine