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Compound Detail

CHEMBL1807632

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

Basic Information

ChEMBL ID CHEMBL1807632
Phase Preclinical
Structure Type MOL
InChI Key KRVBWKLPHHPOMI-FPRCLYBRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
2.75
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.88
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 C18H18N2O
MW 278.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.22 4.22 59850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 59850.0 nM 4.22 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