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

CHEMBL1632238

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
Cc1cc(/C=C/C#N)cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)c1

Basic Information

ChEMBL ID CHEMBL1632238
Phase Preclinical
Structure Type MOL
InChI Key MUBHRENEQVNRBU-ONEGZZNKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
5.83
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.43
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 C24H20N4O
MW 380.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.64

Activity Summary

EC50 3 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 9.26 8.0767 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21049929 10.1021/jm100738d Human immunodeficiency virus 1 6
21049929 10.1021/jm100738d Unchecked 2
21049929 10.1021/jm100738d ADMET 1
21049929 10.1021/jm100738d MT2 1

Data from ChEMBL 36 via Core Engine