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Compound Detail

CHEMBL5921303

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Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cn3)cc2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5921303
Phase Preclinical
Structure Type MOL
InChI Key QFESSIPMLLQOHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N4O
MW 380.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Wnt-3a
CHEMBL1255137
 IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Wnt-3a IC50 = 0.07 nM 10.15 Wnt-Luc Reporter Assay: Human embryonic kidney 293 cells (obtained from American... -

Data from ChEMBL 36 via Core Engine