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

CHEMBL1091176

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
NCCN(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091176
Phase Preclinical
Structure Type MOL
InChI Key OBCGVCHGTISUSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
3.60
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N5
MW 401.56
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

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