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

CHEMBL2322509

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
CN(C)c1ccc(C2SCC(=O)N2CCCNc2c3c4ccccc4nc-3n(C)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322509
Phase Preclinical
Structure Type MOL
InChI Key QYNMQLKPYQPNNK-UHFFFAOYSA-N
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
5.97
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N5OS
MW 509.68
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.97

Activity Summary

IC50 11 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.26 7.05 54.9 4
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 5.86 5.86 1373.0 1
Trypanosoma brucei
CHEMBL612849
 IC50 5.86 5.86 1370.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 5.56 5.56 2727.0 1
L6
CHEMBL614793
 IC50 5.45 5.45 3550.0 2
Leishmania donovani
CHEMBL367
 IC50 4.58 4.58 26000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 54.9 nM 7.26 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... 23360309
Plasmodium falciparum IC50 = 54.9 nM 7.26 Antimalarial activity against Plasmodium falciparum NF54 assessed as parasite gr... 34710743
Plasmodium falciparum IC50 = 143.2 nM 6.84 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... 23360309
Plasmodium falciparum IC50 = 143.0 nM 6.84 Antimalarial activity against Plasmodium falciparum K1 assessed as parasite grow... 34710743
Trypanosoma brucei rhodesiense IC50 = 1373.0 nM 5.86 Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... 23360309
Trypanosoma brucei IC50 = 1370.0 nM 5.86 Antitrypanosomal activity against Trypanosoma brucei assessed as parasite growth... 34710743
Trypanosoma cruzi IC50 = 2727.0 nM 5.56 Antiparasitic activity against Trypanosoma cruzi Tulahuen C2C4 expressing beta-g... 23360309
L6 IC50 = 3551.0 nM 5.45 Toxicity against rat L6 cells after 72 hrs by Alamar blue assay 23360309
L6 IC50 = 3550.0 nM 5.45 Cytotoxicity against rat L6 cells assessed as cell growth inhibition 34710743
Leishmania donovani IC50 = 26095.0 nM 4.58 Antiparasitic activity against Leishmania donovani MHOM/ET/67/L82 axenic amastig... 23360309
Leishmania donovani IC50 = 26000.0 nM 4.58 Antileishmanial activity against Leishmania donovani amastigotes assessed as par... 34710743

Literature References

PubMed DOI Target Context # Activities
23360309 10.1021/jm300887b Plasmodium falciparum 3
23360309 10.1021/jm300887b Unchecked 2
34710743 10.1016/j.ejmech.2021.113938 Plasmodium falciparum 2
34710743 10.1016/j.ejmech.2021.113938 ADMET 2
23360309 10.1021/jm300887b Leishmania donovani 1
23360309 10.1021/jm300887b Trypanosoma cruzi 1
23360309 10.1021/jm300887b Trypanosoma brucei rhodesiense 1
23360309 10.1021/jm300887b L6 1
34710743 10.1016/j.ejmech.2021.113938 Trypanosoma brucei 1
34710743 10.1016/j.ejmech.2021.113938 Leishmania donovani 1
34710743 10.1016/j.ejmech.2021.113938 L6 1

Data from ChEMBL 36 via Core Engine