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Compound Detail

CHEMBL1807626

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Cc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@H]2/C=C/c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1807626
Phase Preclinical
Structure Type MOL
InChI Key DPINIMHTFWAHHL-FPRCLYBRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.10
ALogP
2
HBA
0
HBD
69.1
PSA (Ų)
0.36
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 C18H16N4O
MW 304.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.10

Activity Summary

IC50 1 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.23 5.23 5830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5830.0 nM 5.23 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 21705220

Literature References

PubMed DOI Target Context # Activities
21705220 10.1016/j.bmcl.2011.05.119 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine