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

CHEMBL1911620

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
CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911620
Phase Preclinical
Structure Type MOL
InChI Key BPNVFLUGVLDDOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.86
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O2
MW 402.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 IC50 9.85 9.85 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein IC50 = 0.14 nM 9.85 Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates af... 21916402

Literature References

PubMed DOI Target Context # Activities
21916402 10.1021/jm200770f Mus musculus 3
21916402 10.1021/jm200770f Translocator protein 1

Data from ChEMBL 36 via Core Engine