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Compound Detail

CHEMBL5079469

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O/N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(C2CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079469
Phase Preclinical
Structure Type MOL
InChI Key BFICIYCXDMOTKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

451.3
MW (Da)
2.80
ALogP
9
HBA
3
HBD
126.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16BrFN8O2
MW 451.26
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
34854662 10.1021/acs.jmedchem.1c01305 Indoleamine 2,3-dioxygenase 1 2
34854662 10.1021/acs.jmedchem.1c01305 Indoleamine 2,3-dioxygenase 2 1

Data from ChEMBL 36 via Core Engine