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Compound Detail

CHEMBL375622

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O=C1CC2(N3CCCCC3)CC(c3ccc(Cl)cc3)C(N1)C(c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375622
Phase Preclinical
Structure Type MOL
InChI Key FLLLBCDDNIMNCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
5.77
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl2N2O
MW 443.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
16889962 10.1016/j.bmcl.2006.07.057 Trypanosoma brucei rhodesiense 1
16889962 10.1016/j.bmcl.2006.07.057 Plasmodium falciparum 1
16889962 10.1016/j.bmcl.2006.07.057 L6 1

Data from ChEMBL 36 via Core Engine