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Compound Detail

CHEMBL4531273

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COP(C)(=O)NC1CCN(c2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531273
Phase Preclinical
Structure Type MOL
InChI Key GDJJIHZPFZBDIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.3
MW (Da)
3.25
ALogP
8
HBA
3
HBD
125.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21BrFN6O4P
MW 491.26
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.59

Literature References

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

Data from ChEMBL 36 via Core Engine