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Compound Detail

CHEMBL5185419

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Brc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185419
Phase Preclinical
Structure Type MOL
InChI Key NJFUWCMQHQBDOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.2
MW (Da)
5.15
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11BrN2
MW 323.19
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
35938398 10.1021/acs.jmedchem.2c00677 Indoleamine 2,3-dioxygenase 1 2
35938398 10.1021/acs.jmedchem.2c00677 Tryptophan 2,3-dioxygenase 1

Data from ChEMBL 36 via Core Engine