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

CHEMBL3415869

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
Cn1cc2c3cc(F)ccc3nc-2c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415869
Phase Preclinical
Structure Type MOL
InChI Key RVZBKBIYWNIAQA-UHFFFAOYSA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

284.7
MW (Da)
4.62
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.46
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 C16H10ClFN2
MW 284.72
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.40

Activity Summary

IC50 9 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.78 6.705 165.8 4
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.13 5.575 740.0 2
HepG2
CHEMBL395
 IC50 6.09 6.09 810.0 1
MRC5
CHEMBL614181
 IC50 5.39 5.39 4039.0 1
A549
CHEMBL392
 IC50 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 165.8 nM 6.78 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 25747499
Plasmodium falciparum IC50 = 176.9 nM 6.75 Antiplasmodial activity against chloroquine/mefloquine-resistant Plasmodium falc... 25747499
Plasmodium falciparum IC50 = 176.2 nM 6.75 Antiplasmodial activity against chloroquine/mefloquine-resistant Plasmodium falc... 25747499
Plasmodium falciparum IC50 = 287.5 nM 6.54 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 25747499
NON-PROTEIN TARGET IC50 = 740.0 nM 6.13 Cytotoxicity against human MOLT3 cells by XTT assay 25747499
HepG2 IC50 = 810.0 nM 6.09 Cytotoxicity against human HepG2 cells by MTT assay 25747499
MRC5 IC50 = 4039.0 nM 5.39 Cytotoxicity against human MRC5 cells by MTT assay 25747499
A549 IC50 = 7900.0 nM 5.1 Cytotoxicity against human A549 cells by MTT assay 25747499
NON-PROTEIN TARGET IC50 = 9480.0 nM 5.02 Cytotoxicity against human HuCCa1 cells by MTT assay 25747499

Literature References

PubMed DOI Target Context # Activities
25747499 10.1016/j.ejmech.2015.02.047 Unchecked 5
25747499 10.1016/j.ejmech.2015.02.047 Plasmodium falciparum 4
25747499 10.1016/j.ejmech.2015.02.047 HepG2 2
25747499 10.1016/j.ejmech.2015.02.047 NON-PROTEIN TARGET 2
25747499 10.1016/j.ejmech.2015.02.047 A549 2
25747499 10.1016/j.ejmech.2015.02.047 MRC5 1
25747499 10.1016/j.ejmech.2015.02.047 MOLT-3 1

Data from ChEMBL 36 via Core Engine