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Compound Detail

CHEMBL1179007

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c1ccc(Cn2cc[n+]3c2C2c4ccccc4C3CC2(c2ccoc2)c2ccoc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179007
Phase Preclinical
Structure Type MOL
InChI Key ZSGXEXDVGCYEDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.43
ALogP
3
HBA
0
HBD
35.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23N2O2+
MW 419.50
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness 0.31

Data from ChEMBL 36 via Core Engine