Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4279460

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(CC#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279460
Phase Preclinical
Structure Type MOL
InChI Key TWINNNAMHIBCLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

543.1
MW (Da)
7.29
ALogP
6
HBA
1
HBD
50.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24ClFN4OS
MW 543.07
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.51

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