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Compound Detail

CHEMBL403198

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CCCCCCCCCCCCC/C=C1/CCC[C@H](OCc2ccccc2)[C@H]1N(CC)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403198
Phase Preclinical
Structure Type MOL
InChI Key RZBAREQYQIAWKV-KVHNBRJZSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

455.8
MW (Da)
9.09
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.16
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H53NO
MW 455.77
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 0.43

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
18024033 10.1016/j.bmcl.2007.10.102 Leishmania amazonensis 1
18024033 10.1016/j.bmcl.2007.10.102 Leishmania braziliensis 1
18024033 10.1016/j.bmcl.2007.10.102 Leishmania donovani 1
18024033 10.1016/j.bmcl.2007.10.102 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine