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Compound Detail

CHEMBL4864080

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CC1(C)ON=C(c2ccc(O)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864080
Phase Preclinical
Structure Type MOL
InChI Key SPLFNWFUBIKUBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
3.46
ALogP
7
HBA
2
HBD
113.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F2N4O4
MW 438.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
34843241 10.1021/acs.jmedchem.1c01403 Interleukin-2 1

Data from ChEMBL 36 via Core Engine