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Compound Detail

CHEMBL3184327

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O=C(Nc1cc(N2CCCC2)ncn1)c1ccccc1F

Basic Information

ChEMBL ID CHEMBL3184327
Phase Preclinical
Structure Type MOL
InChI Key AUOXVYLHCQCSRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.47
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15FN4O
MW 286.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.41

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Wnt-3a
CHEMBL5617
IC50 6.16 6.16 696.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Wnt-3a IC50 = 696.0 nM 6.16 PubChem BioAssay. SAR analysis of small molecule antagonists of Gli-SUFU in a Wn... -

Data from ChEMBL 36 via Core Engine