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Compound Detail

CHEMBL4294413

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Fc1cccc(COc2ccc(Nc3ncnc4cc(C#Cc5ccc(C(F)(F)F)nc5)sc34)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294413
Phase Preclinical
Structure Type MOL
InChI Key GLWJQTAVRQLYPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

555.0
MW (Da)
7.62
ALogP
6
HBA
1
HBD
59.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H15ClF4N4OS
MW 554.96
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
30344906 10.1021/acsmedchemlett.8b00245 HepG2 1
30344906 10.1021/acsmedchemlett.8b00245 Trypanosoma brucei brucei 1
30344906 10.1021/acsmedchemlett.8b00245 Trypanosoma cruzi 1
30344906 10.1021/acsmedchemlett.8b00245 NIH3T3 1
30344906 10.1021/acsmedchemlett.8b00245 Leishmania major 1
30344906 10.1021/acsmedchemlett.8b00245 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine