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Compound Detail

CHEMBL4856967

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O=C(O)c1ccc(CCOc2c(F)ccc3nc(C(=O)NCC4CCCCC4)[nH]c(=O)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4856967
Phase Preclinical
Structure Type MOL
InChI Key RAOFPAAUVQSFNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.69
ALogP
5
HBA
3
HBD
121.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26FN3O5
MW 467.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
34437804 10.1021/acs.jmedchem.1c00441 ADMET 4
34437804 10.1021/acs.jmedchem.1c00441 HEK293 1
34437804 10.1021/acs.jmedchem.1c00441 Plasmodium falciparum 1
34437804 10.1021/acs.jmedchem.1c00441 No relevant target 1

Data from ChEMBL 36 via Core Engine