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

CHEMBL5983937

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
CC(C)Oc1ccc(COC(=O)N(Cc2ccc(F)cc2OC(F)(F)F)C2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5983937
Phase Preclinical
Structure Type MOL
InChI Key RWWWHSYTMSLVGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.5
MW (Da)
5.74
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30F4N2O4
MW 498.52
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 0.1 nM 10.0 Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... -

Data from ChEMBL 36 via Core Engine