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Compound Detail

CHEMBL3559270

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C[n+]1c(/C=C/c2cc3ccccc3[nH]2)ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559270
Phase Preclinical
Structure Type MOL
InChI Key WWUYJYQWEXMWHM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
4.32
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N2+
MW 285.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine