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Compound Detail

CHEMBL5206260

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COc1cc(F)ccc1-c1cnc2sc(N3CCC4(CC3)COCCN4)nn12

Basic Information

ChEMBL ID CHEMBL5206260
Phase Preclinical
Structure Type MOL
InChI Key FOLFLVOVZHCYSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.56
ALogP
8
HBA
1
HBD
63.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FN5O2S
MW 403.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35229610 10.1021/acs.jmedchem.1c01995 No relevant target 2
35229610 10.1021/acs.jmedchem.1c01995 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine