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Compound Detail

CHEMBL4169359

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Cn1c(=O)c(C(=O)Nc2c(F)c(F)c(-c3ccccc3)c(F)c2F)c2ccccn21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169359
Phase Preclinical
Structure Type MOL
InChI Key MUTGDOHUSOREOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
4.11
ALogP
4
HBA
1
HBD
55.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13F4N3O2
MW 415.35
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
29939742 10.1021/acs.jmedchem.8b00373 Jurkat 3
29939742 10.1021/acs.jmedchem.8b00373 PBMC 2
29939742 10.1021/acs.jmedchem.8b00373 Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine