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Compound Detail

CHEMBL5218640

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OCC(Nc1cc(Br)cc2[nH]ncc12)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218640
Phase Preclinical
Structure Type MOL
InChI Key GYLSWLNVTWKRMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
3.68
ALogP
3
HBA
3
HBD
60.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20BrN3O
MW 338.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
34110158 10.1021/acs.jmedchem.1c00303 Indoleamine 2,3-dioxygenase 1 1
34110158 10.1021/acs.jmedchem.1c00303 Tryptophan 2,3-dioxygenase 1

Data from ChEMBL 36 via Core Engine