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Compound Detail

CHEMBL471639

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CC(C)(C)OC(=O)NCCCC(N)(C(=O)OCCCNc1nc(N)nc(N)n1)C(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471639
Phase Preclinical
Structure Type MOL
InChI Key YWCCRQWUQUXUFR-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
0.65
ALogP
11
HBA
5
HBD
193.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30F2N8O4
MW 448.48
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.75

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
19250832 10.1016/j.bmc.2009.01.058 Trypanosoma brucei brucei 5

Data from ChEMBL 36 via Core Engine