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Compound Detail

CHEMBL26593

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NC(=O)C[C@@H]1CCC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26593
Phase Preclinical
Structure Type MOL
InChI Key KYKOACYJRWRBAC-SCWSEQNSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
6.07
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F6NO2
MW 459.43
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00220-N Substance-P receptor 1

Data from ChEMBL 36 via Core Engine