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

CHEMBL380213

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=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380213
Phase Preclinical
Structure Type MOL
InChI Key MCIPAHHDNLJGBW-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.01
ALogP
5
HBA
5
HBD
127.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.53

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 2
16913722 10.1021/jm060470p L6 1
16913722 10.1021/jm060470p Plasmodium falciparum 1
16913722 10.1021/jm060470p Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine