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

CHEMBL4175646

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
Cc1nc2ccccc2n1CC1CCN(Cc2ccc(F)c(F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175646
Phase Preclinical
Structure Type MOL
InChI Key HRVKCELYBUDOHY-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.54
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.69
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 C21H23F2N3
MW 355.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.15

Activity Summary

EC50 2 meas. best 5.83
IC50 2 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.83 5.815 1476.0 2
Unchecked
CHEMBL612545
 IC50 5.28 5.28 5248.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1476.0 nM 5.83 Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... 29886326
Unchecked EC50 = 1584.89 nM 5.8 Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... 29886326
Unchecked IC50 = 5260.0 nM 5.28 Displacement of [125I]-CCL2 from HCMV US28 expressed in HEK293 cells after 3 hrs... 29886326
Unchecked IC50 = 5248.07 nM 5.28 Displacement of [125I]-CCL2 from HCMV US28 expressed in HEK293 cells after 3 hrs... 29886326

Literature References

PubMed DOI Target Context # Activities
29886326 10.1016/j.ejmech.2018.05.053 Unchecked 6

Data from ChEMBL 36 via Core Engine