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Compound Detail

CHEMBL1508544

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O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1508544
Phase Preclinical
Structure Type MOL
InChI Key FNQRLYYVOWZEGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.2
MW (Da)
3.93
ALogP
4
HBA
0
HBD
45.8
PSA (Ų)
0.81
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 C15H12BrFN2O2S
MW 383.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.47

Data from ChEMBL 36 via Core Engine