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Compound Detail

CHEMBL442643

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COc1ccc(Cl)cc1C1Sc2ccc(C(F)(F)F)cc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442643
Phase Preclinical
Structure Type MOL
InChI Key ZJNBBYJURGKAEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
5.15
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.79
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClF3NO2S
MW 373.78
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
18680269 10.1021/jm701605f Calcium-activated potassium channel subunit alpha-1 1

Data from ChEMBL 36 via Core Engine