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Compound Detail

CHEMBL1463477

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CCOC(=O)C1CCN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(C)nn23)CC1

Basic Information

ChEMBL ID CHEMBL1463477
Phase Preclinical
Structure Type MOL
InChI Key FAYVRFBQHRHBHT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
1.61
ALogP
9
HBA
2
HBD
130.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N7O4
MW 453.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.77

Activity Summary

EC50 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.85 5.85 1414.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.27 4.27 53947.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine