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Compound Detail

CHEMBL4573286

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CCOP(C)(=O)N1CCC(Nc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4573286
Phase Preclinical
Structure Type MOL
InChI Key XKDSUQHYXGQFAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.3
MW (Da)
3.95
ALogP
8
HBA
3
HBD
125.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BrFN6O4P
MW 505.29
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
31445231 10.1016/j.ejmech.2019.111629 Indoleamine 2,3-dioxygenase 1 2

Data from ChEMBL 36 via Core Engine