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Compound Detail

CHEMBL5219504

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NC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(CO)c2F)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219504
Phase Preclinical
Structure Type MOL
InChI Key QXSUFRCAYBQLRE-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
1.40
ALogP
6
HBA
3
HBD
130.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN5O4
MW 439.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor D
CHEMBL2176771
 IC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor D IC50 = 5300.0 nM 5.28 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