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Compound Detail

CHEMBL356445

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CC(C)(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356445
Phase Preclinical
Structure Type MOL
InChI Key DXIDURYKJQLUDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

502.2
MW (Da)
6.09
ALogP
5
HBA
1
HBD
34.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H48ClN5
MW 502.19
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
12570376 10.1021/jm020960r Plasmodium falciparum 1
12570376 10.1021/jm020960r MRC5 1
19361896 10.1016/j.ejmech.2009.02.024 Plasmodium falciparum 1
19361896 10.1016/j.ejmech.2009.02.024 MRC5 1
19361896 10.1016/j.ejmech.2009.02.024 Unchecked 1

Data from ChEMBL 36 via Core Engine