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Compound Detail

CHEMBL482469

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CCN(CC)CCCCOc1ccnc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL482469
Phase Preclinical
Structure Type MOL
InChI Key SYRFAKBOQJSVOG-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.8
MW (Da)
4.39
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23ClN2O
MW 306.84
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.20

Activity Summary

IC50 4 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.96 5.8025 1100.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18512900 10.1021/jm701478a Plasmodium falciparum 8
18512900 10.1021/jm701478a Unchecked 4

Data from ChEMBL 36 via Core Engine