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Compound Detail

CHEMBL5175200

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NC1CC=C(c2nn3c(-c4ccc(F)cc4F)cnc3s2)CC1

Basic Information

ChEMBL ID CHEMBL5175200
Phase Preclinical
Structure Type MOL
InChI Key HYGTZSBYAVFKFT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.63
ALogP
5
HBA
1
HBD
56.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F2N4S
MW 332.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.28

Activity Summary

EC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35229610 10.1021/acs.jmedchem.1c01995 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine