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Compound Detail

CHEMBL5180189

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COc1cc2c(cc1CN1CCN(C)CC1)[nH]c1c3ccc(Cl)cc3ncc21

Basic Information

ChEMBL ID CHEMBL5180189
Phase Preclinical
Structure Type MOL
InChI Key POWYAGHEGILROZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.9
MW (Da)
4.28
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN4O
MW 394.91
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34710743 10.1016/j.ejmech.2021.113938 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine