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Compound Detail

CHEMBL234129

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Cn1cncc1CN1CC(N(Cc2ccccc2F)C(=O)c2c[nH]cn2)Cc2cc(C#N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234129
Phase Preclinical
Structure Type MOL
InChI Key MXMPCSIZBFAFNN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
3.43
ALogP
6
HBA
1
HBD
93.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24FN7O
MW 469.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17722901 10.1021/jm0703340 Unchecked 3
17722901 10.1021/jm0703340 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine