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Compound Detail

CHEMBL4204167

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O=C(NCc1ccccc1)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204167
Phase Preclinical
Structure Type MOL
InChI Key QNYSFLCCSLKCRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
5.01
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FN5O
MW 457.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
29042223 10.1016/j.bmc.2017.10.004 Plasmodium falciparum 5

Data from ChEMBL 36 via Core Engine