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Compound Detail

CHEMBL4803869

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CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803869
Phase Preclinical
Structure Type MOL
InChI Key WCWLPSUGBHNMHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.3
MW (Da)
6.69
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22Br2N2S
MW 482.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine