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Compound Detail

CHEMBL1715259

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c1ccc2c(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccsc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1715259
Phase Preclinical
Structure Type MOL
InChI Key XYLNQJXKHFPVJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
6.77
ALogP
4
HBA
0
HBD
12.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NOS2
MW 405.59
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine