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Compound Detail

CHEMBL1770747

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COc1ccc2[nH]cc(CN3CCc4cc(-c5cccc(C(F)(F)F)c5)ccc4C3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770747
Phase Preclinical
Structure Type MOL
InChI Key IQURANWCRHYZRE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
6.42
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.40
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 C26H23F3N2O
MW 436.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21257308 10.1016/j.bmcl.2010.12.115 Acid-sensing ion channel 3 1

Data from ChEMBL 36 via Core Engine