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Compound Detail

CHEMBL211927

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N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211927
Phase Preclinical
Structure Type MOL
InChI Key SUKBNAMAKUBJAY-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
4.44
ALogP
4
HBA
5
HBD
114.7
PSA (Ų)
0.19
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 C21H17F3N4O2
MW 414.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.43

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 2
16913722 10.1021/jm060470p L6 1
16913722 10.1021/jm060470p Plasmodium falciparum 1
16913722 10.1021/jm060470p Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine