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

CHEMBL5440522

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
COC(=O)c1cc(NC(=O)N2[C@H]3CC[C@@H]2c2ccnc(F)c2C3)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440522
Phase Preclinical
Structure Type MOL
InChI Key BCPCISSOUYQFTL-GZMMTYOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.29
ALogP
6
HBA
1
HBD
97.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN4O4
MW 346.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Psychosine receptor
CHEMBL3714081
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Psychosine receptor IC50 = 500.0 nM 6.3 Antagonist activity at recombinant human GPR65 expressed in human 1321N1 cells a... -

Data from ChEMBL 36 via Core Engine