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Compound Detail

CHEMBL331776

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c1ccc2c(c1)C1CC(c3ccoc3)(c3ccoc3)C2c2c3ccccc3cc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331776
Phase Preclinical
Structure Type MOL
InChI Key TXZRBLLGXWSWEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.74
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20NO2+
MW 390.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine