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Compound Detail

CHEMBL1619624

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CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619624
Phase Preclinical
Structure Type MOL
InChI Key WNDBSXDDIYRNJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
5.39
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N2S+
MW 347.51
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine