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Compound Detail

CHEMBL1617373

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Cc1c(C(O)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617373
Phase Preclinical
Structure Type MOL
InChI Key HCXOEMCJMXYNEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.36
ALogP
2
HBA
1
HBD
28.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N2O+
MW 329.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine