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Compound Detail

CHEMBL1353925

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CCN(CC)c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(OC(C)C)c1

Basic Information

ChEMBL ID CHEMBL1353925
Phase Preclinical
Structure Type MOL
InChI Key CHSZSBKIAWWNAY-UYRXBGFRSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.57
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O
MW 388.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.71

Activity Summary

EC50 2 meas. best 6.08
IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
IC50 6.25 6.25 556.6 1
Unchecked
CHEMBL612545
EC50 6.08 5.81 823.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine