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Compound Detail

CHEMBL486079

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O=C(O)CN1CCC2(N3CCCCC3)CC(c3ccc(Cl)cc3)C1C(c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486079
Phase Preclinical
Structure Type MOL
InChI Key UAXDXLJUUCRWEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
6.04
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32Cl2N2O2
MW 487.47
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
18502136 10.1016/j.bmc.2008.05.007 Trypanosoma brucei rhodesiense 1
18502136 10.1016/j.bmc.2008.05.007 L6 1
18502136 10.1016/j.bmc.2008.05.007 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine