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Compound Detail

CHEMBL1560136

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COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1

Basic Information

ChEMBL ID CHEMBL1560136
Phase Preclinical
Structure Type MOL
InChI Key CUPQFMAETQXXEL-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.11
ALogP
4
HBA
0
HBD
49.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O
MW 267.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.49

Activity Summary

IC50 3 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.2 5.2 6284.0 1
Protein Rev
CHEMBL1293282
IC50 4.83 4.83 14753.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.73 4.73 18500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine