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Compound Detail

CHEMBL5221048

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NC(=O)c1cccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221048
Phase Preclinical
Structure Type MOL
InChI Key AISKRKKDXOVZCD-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.3
MW (Da)
2.12
ALogP
4
HBA
2
HBD
105.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrN4O3
MW 431.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor D
CHEMBL2176771
 IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor D IC50 = 40000.0 nM 4.4 Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as subs... 36272185

Literature References

PubMed DOI Target Context # Activities
36272185 10.1016/j.bmc.2022.117034 Complement factor D 1
36272185 10.1016/j.bmc.2022.117034 Erythrocyte 1

Data from ChEMBL 36 via Core Engine