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Compound Detail

CHEMBL4228364

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O=c1c2ccccc2nc(-c2ccc(OCc3ccccc3)cc2)n1CCc1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228364
Phase Preclinical
Structure Type MOL
InChI Key BNCFWIZYQNFOPX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
6.37
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25N3O2
MW 471.56
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29598911 10.1016/j.bmcl.2018.03.036 Toxoplasma gondii 2
29598911 10.1016/j.bmcl.2018.03.036 HFF 1
29598911 10.1016/j.bmcl.2018.03.036 ADMET 1

Data from ChEMBL 36 via Core Engine