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Compound Detail

CHEMBL509283

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O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL509283
Phase Preclinical
Structure Type MOL
InChI Key JCFIOQRTKLVPAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.02
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3S
MW 330.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
18783202 10.1021/jm800539g Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine