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Compound Detail

CHEMBL501304

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COc1ccccc1NC(=S)NC1CC(C)(C)Oc2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501304
Phase Preclinical
Structure Type MOL
InChI Key JXMZTKOHIJVZKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.42
ALogP
3
HBA
2
HBD
42.5
PSA (Ų)
0.79
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 C19H21FN2O2S
MW 360.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
18406154 10.1016/j.bmc.2008.03.065 Unchecked 1
18406154 10.1016/j.bmc.2008.03.065 Aorta 1

Data from ChEMBL 36 via Core Engine