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Compound Detail

CHEMBL513376

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Nc1nc(N)nc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513376
Phase Preclinical
Structure Type MOL
InChI Key BUWUBQYEFPNRJA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
0.85
ALogP
10
HBA
3
HBD
156.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN8O3
MW 440.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.94

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19250832 10.1016/j.bmc.2009.01.058 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine