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Compound Detail

CHEMBL5220812

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NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(CO)ccc12

Basic Information

ChEMBL ID CHEMBL5220812
Phase Preclinical
Structure Type MOL
InChI Key UYOQIJAROUNQLT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.9
MW (Da)
1.73
ALogP
6
HBA
3
HBD
130.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClFN5O4
MW 487.92
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.74

Activity Summary

IC50 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor D
CHEMBL2176771
IC50 7.11 7.11 77.0 1
Erythrocyte
CHEMBL4296518
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

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