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Compound Detail

CHEMBL2322508

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Cn1c2nc3ccccc3c-2c(NCCCN2C(=O)CSC2c2ccc(Cl)cc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL2322508
Phase Preclinical
Structure Type MOL
InChI Key CUKMISSCJRURRR-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

501.1
MW (Da)
6.56
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25ClN4OS
MW 501.06
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.98

Activity Summary

IC50 3 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.19 7.015 63.9 2
L6
CHEMBL614793
IC50 5.46 5.46 3473.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23360309 10.1021/jm300887b Plasmodium falciparum 3
23360309 10.1021/jm300887b Unchecked 2
23360309 10.1021/jm300887b L6 1

Data from ChEMBL 36 via Core Engine