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Compound Detail

CHEMBL5752443

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Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(N)nn3)c2F)cn1

Basic Information

ChEMBL ID CHEMBL5752443
Phase Preclinical
Structure Type MOL
InChI Key ZLCUVUBNTLUTDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.30
ALogP
7
HBA
2
HBD
112.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6O
MW 352.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.35

Activity Summary

Ki 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
Ki 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 Ki = 1.7 nM 8.77 Binding Assay: The assay below is used to test the modulatory activity of compou... -

Data from ChEMBL 36 via Core Engine