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Compound Detail

CHEMBL1617555

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COc1ccc(-c2n(Cc3ccccc3)c3ccccc3[n+]2Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617555
Phase Preclinical
Structure Type MOL
InChI Key YWFDALCOUZEVSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.70
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N2O+
MW 405.52
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine