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Compound Detail

CHEMBL3041343

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C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3041343
Phase Preclinical
Structure Type MOL
InChI Key RQNKQWXJUNBHII-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.90
ALogP
1
HBA
2
HBD
45.7
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 C20H18N3+
MW 300.39
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine