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Compound Detail

CHEMBL1719643

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COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1719643
Phase Preclinical
Structure Type MOL
InChI Key SHFSMMIREYPMIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
6.72
ALogP
4
HBA
0
HBD
21.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO2S
MW 429.59
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine