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Compound Detail

CHEMBL1198398

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COc1ccc2cc3[n+](cc2c1OCCCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198398
Phase Preclinical
Structure Type MOL
InChI Key BKMOSBYJXKOCTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.33
ALogP
5
HBA
0
HBD
50.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28NO5+
MW 470.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine