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Compound Detail

CHEMBL5861358

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O=C(Cn1ccc2c(N3CCCCC3)ccnc21)Nc1ccc(-c2cnccn2)cn1

Basic Information

ChEMBL ID CHEMBL5861358
Phase Preclinical
Structure Type MOL
InChI Key VXHCZGJHBAZOKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.52
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7O
MW 413.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Wnt-3a
CHEMBL5617
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Wnt-3a IC50 = 3.0 nM 8.52 Dual-Cell beta-Catenin Reporter Assay: Mouse L cells transfected to constitutive... -

Data from ChEMBL 36 via Core Engine