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

CHEMBL282909

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)Cc1noc(C2CN=CNC2)n1.O=C(O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL282909
Phase Preclinical
Structure Type MOL
InChI Key AAJCZPVGLDTKJX-UHFFFAOYSA-N
Parent Compound CHEMBL1183162
Active Moiety CHEMBL1183162
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.98
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17F3N4O3
MW 322.29
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1400.0 nM 5.85 Inhibition of specific [3H](R)-QNB binding to Muscarinic acetylcholine receptor ... 9111297

Literature References

PubMed DOI Target Context # Activities
9111297 10.1021/jm960467d Unchecked 1
9111297 10.1021/jm960467d Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine