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

CHEMBL185458

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
N#Cc1cc2cccnc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185458
Phase Preclinical
Structure Type MOL
InChI Key KTXSZTLIFGAZHZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.74
ALogP
7
HBA
0
HBD
99.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N6O2
MW 360.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.83

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
15380223 10.1016/j.bmcl.2004.07.060 Unchecked 1

Data from ChEMBL 36 via Core Engine