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Compound Detail

CHEMBL5905973

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O=C(NC1CCCCC1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12

Basic Information

ChEMBL ID CHEMBL5905973
Phase Preclinical
Structure Type MOL
InChI Key UEZHKJJFOLPGJG-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.29
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 7.24
EC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene Wnt-1
CHEMBL1255129
IC50 7.24 7.24 57.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.24 7.24 58.0 1
Unchecked
CHEMBL612545
IC50 6.04 6.04 911.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine