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

CHEMBL458774

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
O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458774
Phase Preclinical
Structure Type MOL
InChI Key XNLATGADXHMGSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.64
ALogP
5
HBA
2
HBD
102.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N5O3
MW 387.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
18304819 10.1016/j.bmc.2008.02.020 Nuclear receptor subfamily 1 group I member 2 1

Data from ChEMBL 36 via Core Engine