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Compound Detail

CHEMBL4286008

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CC(C)CC#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4286008
Phase Preclinical
Structure Type MOL
InChI Key VANJYANUBOMLFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

466.0
MW (Da)
7.20
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21ClFN3OS
MW 465.98
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

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