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Compound Detail

CHEMBL1493286

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CN(C(=O)CN1C(=O)c2cccc(N)c2C1=O)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL1493286
Phase Preclinical
Structure Type MOL
InChI Key UWJMNCQVJDDQBH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.66
ALogP
4
HBA
1
HBD
83.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O3
MW 315.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.27

Activity Summary

IC50 2 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.37 5.37 4292.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.49 4.49 32600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine