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Compound Detail

CHEMBL233920

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Cn1cncc1CN1CC(N(Cc2ccccc2F)C(=O)c2cnns2)Cc2cc(C#N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233920
Phase Preclinical
Structure Type MOL
InChI Key PSWQYKLOAOVQEI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
3.56
ALogP
8
HBA
0
HBD
90.9
PSA (Ų)
0.41
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 C25H22FN7OS
MW 487.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.97

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