Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL51648

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
FC(F)(F)c1cc(CO[C@H]2OCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51648
Phase Preclinical
Structure Type MOL
InChI Key FUQXMZQIUQTJPV-DLBZAZTESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
4.93
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F6NO2
MW 405.34
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Substance-P receptor
CHEMBL249
 IC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Substance-P receptor IC50 = 2.4 nM 8.62 Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in ... 8627597

Literature References

PubMed DOI Target Context # Activities
8627597 10.1021/jm950654w Substance-P receptor 1

Data from ChEMBL 36 via Core Engine