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Compound Detail

CHEMBL382989

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O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382989
Phase Preclinical
Structure Type MOL
InChI Key WNCUUWPRYUNKAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
6.32
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.49
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 C22H15F6NO
MW 423.36
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
16332435 10.1016/j.bmcl.2005.11.047 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine