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Compound Detail

CHEMBL3706800

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NC(=O)CCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3706800
Phase Preclinical
Structure Type MOL
InChI Key SIQTYGZTBDOPMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

515.1
MW (Da)
3.20
ALogP
6
HBA
2
HBD
94.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39ClN6O2
MW 515.10
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
15603943 10.1016/j.bmcl.2004.10.080 MRC5 2
15603943 10.1016/j.bmcl.2004.10.080 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine