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

CHEMBL270316

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
CC1=C(CCCCCC(=O)NCCNc2ccnc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270316
Phase Preclinical
Structure Type MOL
InChI Key LZJPEVZJKRUOAM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.0
MW (Da)
5.76
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28ClN3O3
MW 490.00
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.31

Activity Summary

IC50 2 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.74 6.585 183.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 183.9 nM 6.74 Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum 3D7 18260613
Plasmodium falciparum IC50 = 367.3 nM 6.43 Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 18260613

Literature References

PubMed DOI Target Context # Activities
18260613 10.1021/jm7009292 Plasmodium falciparum 3
18260613 10.1021/jm7009292 KB 1

Data from ChEMBL 36 via Core Engine