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

CHEMBL3769485

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)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769485
Phase Preclinical
Structure Type MOL
InChI Key ZZGJPNKWPLRCPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.49
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.57
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 C21H18N4O
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
26685880 10.1021/acs.jmedchem.5b01089 Structural capsid protein 1
26685880 10.1021/acs.jmedchem.5b01089 Human immunodeficiency virus 1 1
26685880 10.1021/acs.jmedchem.5b01089 ADMET 1

Data from ChEMBL 36 via Core Engine