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Compound Detail

CHEMBL2113940

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Cc1cc(/C=C2\SC(N(CC#N)c3ccccc3)=NC2=O)c(C)n1-c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113940
Phase Preclinical
Structure Type MOL
InChI Key ZNJGLEUSFVBSML-JCMHNJIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
6.11
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F3N4OS
MW 480.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2113921 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine