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Compound Detail

CHEMBL1622467

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Nc1ccccc1-[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622467
Phase Preclinical
Structure Type MOL
InChI Key VVUKMTOFNANGIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
6.55
ALogP
1
HBA
1
HBD
29.9
PSA (Ų)
0.27
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 C29H23N2+
MW 399.52
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine