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Compound Detail

CHEMBL5629998

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Cc1cc(N2CCN(C(c3ccc(F)c(F)c3)c3ccccc3O)CC2)n2ncnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5629998
Phase Preclinical
Structure Type MOL
InChI Key VTOBESRSGJOUKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.33
ALogP
7
HBA
1
HBD
69.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F2N6O
MW 436.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.16 5.16 6870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 6870.0 nM 5.16 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... 37321109

Literature References

PubMed DOI Target Context # Activities
37321109 10.1016/j.ejmech.2023.115564 Plasmodium falciparum 2
37321109 10.1016/j.ejmech.2023.115564 Erythrocyte 1

Data from ChEMBL 36 via Core Engine