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Compound Detail

CHEMBL5785948

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CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5785948
Phase Preclinical
Structure Type MOL
InChI Key NEEZINZEAIPBOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.0
MW (Da)
3.96
ALogP
5
HBA
1
HBD
78.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN5O2
MW 463.97
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Wnt-3a
CHEMBL1255137
 IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Wnt-3a IC50 = 0.1 nM 10.0 Wnt-Luc Reporter Assay: Human embryonic kidney 293 cells (obtained from American... -

Data from ChEMBL 36 via Core Engine