Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5221059

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C(N)c1ccn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Br)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221059
Phase Preclinical
Structure Type MOL
InChI Key ZNQHLEVIOKHIJY-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.3
MW (Da)
1.60
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19BrN6O2
MW 419.28
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.09

Activity Summary

IC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor D
CHEMBL2176771
 IC50 4.64 4.64 23000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor D IC50 = 23000.0 nM 4.64 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