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Compound Detail

CHEMBL5407328

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Nc1nncc2cc(N3CCN(c4cccc(F)c4)CC3)ccc12

Basic Information

ChEMBL ID CHEMBL5407328
Phase Preclinical
Structure Type MOL
InChI Key WYABEPLWGICBEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.68
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FN5
MW 323.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement C1s subcomponent
CHEMBL3913
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37120845 10.1021/acs.jmedchem.3c00348 Complement C1s subcomponent 1

Data from ChEMBL 36 via Core Engine