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

CHEMBL1091174

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
c1ccc(CN(Cc2ccc(CNCc3ccccn3)cc2)C2CCCc3cccnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091174
Phase Preclinical
Structure Type MOL
InChI Key NJDVDIVVFUXOHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.85
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N4
MW 448.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
20297846 10.1021/jm100073m Human immunodeficiency virus 1 1
20297846 10.1021/jm100073m MT4 1

Data from ChEMBL 36 via Core Engine