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Compound Detail

CHEMBL1740438

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COc1cc(N(C)C)ccc1C=c1c2ccccc2n2c1cc(-c1ccccc1)[n+]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1740438
Phase Preclinical
Structure Type MOL
InChI Key TUJQGUUEWCJHJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.21
ALogP
3
HBA
0
HBD
20.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N3O+
MW 408.53
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine