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

CHEMBL231567

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(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

Basic Information

ChEMBL ID CHEMBL231567
Phase Preclinical
Structure Type MOL
InChI Key DLHBWQRROLAMTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
5.29
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F4N3O
MW 441.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

EC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 580.0 nM 6.24 Antiviral activity against HIV1 infected CEM cells 17663538

Literature References

PubMed DOI Target Context # Activities
17663538 10.1021/jm060103d Human immunodeficiency virus 1 1
17663538 10.1021/jm060103d CCRF-CEM 1
17663538 10.1021/jm060103d Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine