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

CHEMBL290766

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
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290766
Phase Preclinical
Structure Type MOL
InChI Key LXDSICMNXVGBMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
14
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.09
ALogP
6
HBA
3
HBD
106.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O3S
MW 408.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.7 6.7 200.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1285.0 - -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 200.0 nM 6.7 Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... 8182707

Literature References

PubMed DOI Target Context # Activities
6894620 10.1021/jm00137a009 Mus musculus 2
8182707 10.1021/jm00036a014 Jurkat 2
6688829 10.1021/jm00365a013 Nucleic Acid 2
6688829 10.1021/jm00365a013 P388 2
7120279 10.1021/jm00350a004 L1210 1
6894620 10.1021/jm00137a009 No relevant target 1
6894620 10.1021/jm00137a009 Calf thymus DNA 1
6894620 10.1021/jm00137a009 ADMET 1
8182707 10.1021/jm00036a014 Plasmodium falciparum 1
6688829 10.1021/jm00365a013 No relevant target 1
6688829 10.1021/jm00365a013 L1210 1
7069706 10.1021/jm00345a015 L1210 1
7069706 10.1021/jm00345a015 Mus sp. 1
7069706 10.1021/jm00345a015 No relevant target 1

Data from ChEMBL 36 via Core Engine