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Compound Detail

CHEMBL139477

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COc1ccc(C2(c3ccc(OC)cc3)Sc3ccc(C(F)(F)F)cc3-n3cccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139477
Phase Preclinical
Structure Type MOL
InChI Key MDSCXTNAHUNHTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
6.91
ALogP
4
HBA
0
HBD
23.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F3NO2S
MW 467.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
7473567 10.1021/jm00022a005 Voltage-gated L-type calcium channel 1

Data from ChEMBL 36 via Core Engine