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Compound Detail

CHEMBL312928

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Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL312928
Phase Preclinical
Structure Type MOL
InChI Key QUKMNFBZSMFVFB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.3
MW (Da)
5.57
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14BrN3
MW 376.26
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

IC50 3 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 7.4 6.755 40.1 2
MAP kinase p38
CHEMBL2094115
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11549467 10.1016/s0960-894x(01)00498-x Glucagon receptor 1
11549467 10.1016/s0960-894x(01)00498-x MAP kinase p38 1
- 10.1007/s00044-013-0869-9 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine