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Compound Detail

CHEMBL233819

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Cn1cnc(CN2CC(N(Cc3ccccc3F)C(=O)c3cn(C)cn3)Cc3cc(C#N)ccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233819
Phase Preclinical
Structure Type MOL
InChI Key CIMOSLWAYIUMRZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
3.44
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.42
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 C27H26FN7O
MW 483.55
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.62

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