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Compound Detail

CHEMBL5218896

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O[C@@H]1CCCC[C@H]1NCc1cc(Br)cc2[nH]ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218896
Phase Preclinical
Structure Type MOL
InChI Key KVNDSOBGKQUCOV-TZMCWYRMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
2.72
ALogP
3
HBA
3
HBD
60.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18BrN3O
MW 324.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.85

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