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Compound Detail

CHEMBL1789529

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O=C1Cc2c([nH]c3cc[n+](Cc4ccccc4)cc23)-c2ccccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789529
Phase Preclinical
Structure Type MOL
InChI Key OYRDVNBEBYNKPM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.67
ALogP
1
HBA
2
HBD
48.8
PSA (Ų)
0.54
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 C22H18N3O+
MW 340.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine