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

CHEMBL226765

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
CN1CCN(C)C(C)(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226765
Phase Preclinical
Structure Type MOL
InChI Key WTEXNFBQKKNSHY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
1.05
ALogP
7
HBA
3
HBD
101.8
PSA (Ų)
0.72
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 C19H24FN5O3
MW 389.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10.0 nM 8.0 Inhibition of HIV1 integrase strand transfer activity 17428043

Literature References

PubMed DOI Target Context # Activities
17428043 10.1021/jm070027u Human immunodeficiency virus 1 2
17428043 10.1021/jm070027u Unchecked 1

Data from ChEMBL 36 via Core Engine