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Compound Detail

CHEMBL108596

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CC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108596
Phase Preclinical
Structure Type MOL
InChI Key PMSIXJNBLBJFJA-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.56
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O
MW 340.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.62

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
12109904 10.1021/jm011046l Plasmodium falciparum 4
12109904 10.1021/jm011046l No relevant target 3
12109904 10.1021/jm011046l ADMET 1
12109904 10.1021/jm011046l Unchecked 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine