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

CHEMBL456579

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
Brc1n[nH]c2c(I)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456579
Phase Preclinical
Structure Type MOL
InChI Key CSVJSYJEYYTJPV-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.9
MW (Da)
2.93
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4BrIN2
MW 322.93
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.10

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 1 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase, inducible 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 3 1
18502134 10.1016/j.bmc.2008.04.056 RAW264.7 1

Data from ChEMBL 36 via Core Engine