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Compound Detail

CHEMBL108926

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C[n+]1ccc(-c2ccccc2)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108926
Phase Preclinical
Structure Type MOL
InChI Key YWBJXSSSCZBIDP-UHFFFAOYSA-M
Parent Compound CHEMBL311617
Active Moiety CHEMBL311617
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
2.18
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12BrN
MW 250.14
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.19

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
3871859 10.1021/jm00381a009 Dihydropteridine reductase 2

Data from ChEMBL 36 via Core Engine