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Compound Detail

CHEMBL4637156

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Cc1cc(Br)c(NC2=NCCN2)c2cc[nH]c12

Basic Information

ChEMBL ID CHEMBL4637156
Phase Preclinical
Structure Type MOL
InChI Key CVOMHEFHGHEILK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
2.61
ALogP
3
HBA
3
HBD
52.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN4
MW 293.17
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 8000.0 nM 5.1 Inhibition of human serine protease factor B catalytic domain (D470 to L764 resi... 32073845

Literature References

PubMed DOI Target Context # Activities
32073845 10.1021/acs.jmedchem.9b01870 Complement factor B 1

Data from ChEMBL 36 via Core Engine