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Compound Detail

CHEMBL1289388

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COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(Nc4ccnc5cc(Cl)ccc45)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1289388
Phase Preclinical
Structure Type MOL
InChI Key GBLQZIPXFKBMNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

511.4
MW (Da)
8.74
ALogP
5
HBA
2
HBD
59.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H20Cl2N4O
MW 511.41
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
20951034 10.1016/j.bmcl.2010.09.107 Plasmodium yoelii 2
20951034 10.1016/j.bmcl.2010.09.107 Plasmodium falciparum 1
25913864 10.1016/j.bmc.2015.04.017 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine