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Compound Detail

CHEMBL4063847

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CN(C)c1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063847
Phase Preclinical
Structure Type MOL
InChI Key KYIHGCYWLVORRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.1
MW (Da)
2.29
ALogP
6
HBA
2
HBD
86.8
PSA (Ų)
0.38
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 C11H11BrFN5O2
MW 344.14
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.02

Pharmacokinetic Data

Parameter Value Units Species
CL 36.67 mL.min-1.kg-1 Rattus norvegicus
CL 36.67 mL.min-1.kg-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
28523098 10.1021/acsmedchemlett.6b00391 Indoleamine 2,3-dioxygenase 1 2
28523098 10.1021/acsmedchemlett.6b00391 Liver 2

Data from ChEMBL 36 via Core Engine